Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ERN1 | O75460 | 2/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.47 |
| ▸ | PRF1 | P14222 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4796572 | 0.87 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP2C19ERN1 | |
| SCHEMBL23287803 | 0.79 | MTNR1A (0.48) | CYP2A6ALDH1A1MTNR1AMTNR1BPRF1 | |
| SCHEMBL788146 | 0.75 | CYP2A6 (0.56) | CYP2A6ALDH1A1MTNR1AMTNR1BPRF1 | |
| SCHEMBL2960090 | 0.75 | CYP2A6 (0.53) | CYP2A6ALDH1A1ERN1KDM4EMAPT | |
| SCHEMBL2022637 | 0.74 | CYP2A6 (1.00) | CYP2A6ALDH1A1ERN1PRF1MAPT | |
| SCHEMBL5397554 | 0.74 | CYP2A6 (0.64) | CYP2A6ALDH1A1ERN1MTNR1AMTNR1B | |
| SCHEMBL19735067 | 0.74 | CYP2A6 (0.64) | CYP2A6ALDH1A1ERN1KDM4EMAPT | |
| SCHEMBL7332731 | 0.74 | CYP2A6 (0.64) | CYP2A6ALDH1A1CYP1A2CYP2C19ERN1 | |
| SCHEMBL5547486 | 0.74 | MTNR1A (0.47) | ALDH1A1MTNR1AMTNR1BPRF1KDM4E | |
| SCHEMBL3640233 | 0.74 | CYP2A6 (0.64) | CYP2A6ERN1MAPTTDP1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1334095-B1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO (JP) | 2005-01-19 | — | — | EP | disclosed |
| US-20040147787-A1 | Process for oxidation of alcohols | MILLER ROSS A (US) | 2004-07-29 | — | — | US | disclosed |
| EP-1334095-A4 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6693203-B2 | REACTING NOPINONE ENOLATE WITH ALKYL 7-HALO-5-HEPTYNOATE, REACTING PRODUCT WITH HYDROXYLAMINE, TREATING WITH TITANIUM TRICHLORIDE AND BORANE REAGENT, HYDROGENATING, REACTING WITH 5-HYDROXY-4-BENZOTHIOPHENECARBOXYLIC ACID, HYDROLYZING | SHIONOGI & CO., LTD (JP) | 2004-02-17 | — | — | US | disclosed |
| US-20030199702-A1 | Process for the preparation of pgd2 antagonist | LARSEN ROBERT (US) | 2003-10-23 | — | — | US | disclosed |
| EP-1334095-A1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2003-08-13 | — | — | EP | disclosed |
| WO-2003006435-A1 | PROCESS FOR OXIDATION OF ALCOHOLS | MERCK & CO., INC. (US) | 2003-01-23 | — | — | WO | disclosed |
| WO-2002032892-A1 | PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST | SHIONOGI & CO., LTD (JP) | 2002-04-25 | — | — | WO | disclosed |
| US-5510353-A | TREATING IRRITABLE BOWEL SYNDROME, GASTROESOPHAGEAL REFLUX DISEASE, CONSTIPATION, MIGRAINE HEADACHES | SANDOZ LTD. (CH) | 1996-04-23 | — | — | US | disclosed |
| EP-0505322-A1 | Aminoguanidines | SANDOZ LTD. (CH) | 1992-09-23 | — | — | 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 (2 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-20040147787-A1 | Process for oxidation of alcohols | TPO, ADH1C, GPX4 | CYP2A6 587/4885ALDH1A1 68/4885CYP1A2 164/4885 |
| US-20030199702-A1 | Process for the preparation of pgd2 antagonist | PTGDR, PTGDR2, PTGER2 | CYP2A6 227/4885ALDH1A1 3338/4885CYP1A2 158/4885 |
“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.