Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28674793 | 0.87 | HSD11B1 (0.44) | TDP1CES1CES2MAPTHPGD | |
| SCHEMBL1009627 | 0.85 | AKR1B1 (0.42) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL28457741 | 0.85 | ALDH1A1 (0.33) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL27550664 | 0.83 | AKR1B1 (0.41) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL9518462 | 0.83 | AKR1B1 (0.41) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL28768934 | 0.83 | AKR1B1 (0.41) | CYP3A4TDP1CES1CES2ALOX15 | |
| Ammonia Solution, Strong SCHEMBL31339446 | 0.83 | AKR1B1 (0.41) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL9389962 | 0.81 | MAPT (0.41) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL28307265 | 0.81 | AKR1B1 (0.39) | CYP3A4TDP1CES1CES2ALOX15 | |
| SCHEMBL4861260 | 0.81 | ALDH1A1 (0.43) | CYP3A4TDP1CES1CES2ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6835850-B2 | Reacting a conjugated diene with carbon monoxide and an alcohol to form an alkenoic ester by using a durable catalyst complex of palladium cations, a ligand of bridged phospha-cycloalkanes and source of anions; by-product inhibition | DSW IP ASSETS B.V. (NL) | 2004-12-28 | — | — | US | disclosed |
| US-20040039226-A1 | Process for the carbonylation of a conjugated diene | DSM IP ASSETS B.V. (NL) | 2004-02-26 | — | — | US | disclosed |
| US-6268530-B1 | SEPARATING LINEAR 5-FORMYLVALERIC ACID FROM MIXTURE OF 5- AND 3-AND/OR 4-BRANCHED FORMYLVALERIC ACIDS BY SEPARATING FRACTIONAL EXTRACTION WITH TWO IMMISCIBLE SOLVENTS | DSM N.V. (NL) | 2001-07-31 | — | — | US | disclosed |
| US-6175036-B1 | CATALYZING THE CARBOXYLATION OF AN ALKOXY-BUTENE WITH CARBON MONOXIDE IN THE PRESENCE OF A CATALYST SYSTEM COMPRISING PALLADIUM, A PHOSPHORUS LIGAND AND AN ACID PROMOTOR | DSM N.V. (NL) | 2001-01-16 | — | — | US | disclosed |
| EP-0836588-B1 | PROCESS TO PREPARE 5-FORMYLVALERIC ACID | DSM NV (NL) | 2000-05-17 | — | — | EP | disclosed |
| US-6013816-A | HYDROFORMYLATING UNSATURATED C.SUB.4-C.SUB.12 CARBOXYLIC ACID, ESTER, OR NITRILE TO PRODUCE LINEAR .OMEGA.-FORMYL-CARBOXYLIC ACID OR LINEAR FORMYL NITRILE IN PRESENCE OF WATER, CARBON MONOXIDE, HYDROGEN AND CATALYST | DSM NV (NL) | 2000-01-11 | — | — | US | disclosed |
| EP-0742788-B1 | PROCESS FOR THE PREPARATION OF A LINEAR FORMYL COMPOUND | DSM NV (NL) | 1999-03-31 | — | — | EP | disclosed |
| EP-0662468-B1 | Process for the preparation of 5-formylvalerate | DSM NV (NL) | 1998-05-06 | — | — | EP | disclosed |
| EP-0836588-A1 | PROCESS TO PREPARE 5-FORMYLVALERIC ACID | DSM N.V. (NL) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002228-A1 | PROCESS TO PREPARE 5-FORMYLVALERIC ACID | DSM N.V. (NL) | 1997-01-23 | — | — | WO | disclosed |
| EP-0341773-A1 | Process for the preparation of lactones | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-15 | — | — | EP | disclosed |
| EP-0220767-B1 | PROCESS FOR THE PREPARATION OF ALDEHYDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-02 | — | — | EP | disclosed |
| US-4861912-A | Process for the preparation of a diester of adipic acid | SHELL OIL COMPANY (US) | 1989-08-29 | — | — | US | disclosed |
| US-4849542-A | Process for the preparation of oxo-alkanedioic acids or diesters thereof | SHELL OIL COMPANY (US) | 1989-07-18 | — | — | US | disclosed |
| EP-0293999-A2 | Process for the coproduction of anilines and oxamides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-12-07 | — | — | EP | disclosed |
| EP-0293053-A2 | Process for the preparation of cyclic carboxylic anhydrides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-11-30 | — | — | EP | disclosed |
| EP-0284170-A1 | Process for the preparation of a diester of adipic acid | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-09-28 | — | — | EP | disclosed |
| US-4731487-A | Process for the preparation of aldehydes | SHELL OIL COMPANY (US) | 1988-03-15 | — | — | US | disclosed |
| EP-0250037-A2 | Process for the preparation of urea derivatives and catalyst system | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-12-23 | — | — | EP | disclosed |
| EP-0220767-A1 | Process for the preparation of aldehydes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-05-06 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040039226-A1 | Process for the carbonylation of a conjugated diene | ROS1, DOHH, NOXO1 | CYP3A4 209/4885TDP1 2645/4885CES1 2858/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.