Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.55 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31575827 | 1.00 | HDAC3 (0.58) | HDAC3HDAC1HDAC2ALDH1A1POLB | |
| SCHEMBL31575807 | 0.96 | HDAC3 (0.56) | HDAC3HDAC1HDAC2ALDH1A1POLB | |
| SCHEMBL20267329 | 0.91 | LMNA (0.60) | HDAC3HDAC1HDAC2ALDH1A1POLB | |
| SCHEMBL31575815 | 0.91 | LMNA (0.60) | HDAC3HDAC1HDAC2ALDH1A1POLB | |
| SCHEMBL5030924 | 0.87 | PPARD (0.50) | NOD2NOD1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL13996233 | 0.87 | PPARD (0.50) | NOD2NOD1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL111861 | 0.86 | L3MBTL1 (0.64) | L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9 | |
| SCHEMBL18669871 | 0.85 | CES2 (0.54) | ALDH1A1POLBCES2CYP1A2CYP2C19 | |
| SCHEMBL27404771 | 0.85 | LMNA (0.53) | HDAC3HDAC1HDAC2ALDH1A1POLB | |
| SCHEMBL30786693 | 0.84 | CES2 (0.61) | HDAC3HDAC1HDAC2ALDH1A1POLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471264-B | 5, 5-disubstituted-2-imino pyrrolidine derivative, preparation method and medical application thereof | SHANGHAI HENGRUI PHARM CO LTD | 2014-04-02 | — | — | CN | disclosed |
| US-6784295-B2 | CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS | SOLVIAS AG (CH) | 2004-08-31 | — | — | US | disclosed |
| US-20030181688-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | INDOLESE ADRIANO (CH) | 2003-09-25 | — | — | US | disclosed |
| EP-1132361-B1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | SOLVIAS AG (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-6548684-B2 | Using monophosphine palladium complex catalyst | SOLVIAS AG (SE) | 2003-04-15 | — | — | US | disclosed |
| US-20010037042-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | SOLVIAS AG (CH) | 2001-11-01 | — | — | US | disclosed |
| EP-1132361-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | Solvias AG (CH) | 2001-09-12 | — | — | 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-20010037042-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | ADH1C, ALKBH3, PNMT | HDAC3 3067/4885HDAC1 3601/4885HDAC2 2751/4885 |
| US-20030181688-A1 | Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds | ADH1C, ALKBH3, PNMT | HDAC3 3067/4885HDAC1 3601/4885HDAC2 2751/4885 |
“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.