Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13416124 | 0.85 | ALDH1A1 (0.61) | ALDH1A1GLATSHRTP53CYP3A4 | |
| SCHEMBL20612384 | 0.85 | CFD (0.43) | ALDH1A1GLAVDRTSHRTP53 | |
| SCHEMBL1042328 | 0.84 | PTPN1 (0.49) | ALDH1A1GLAVDRTSHRTP53 | |
| SCHEMBL568467 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GLAVDRTSHRTP53 | |
| SCHEMBL567908 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GLAVDRTSHRTP53 | |
| SCHEMBL24328600 | 0.83 | FDPS (0.43) | ALDH1A1GLAVDRTSHRSMN1; SMN2 | |
| SCHEMBL24328789 | 0.83 | FDPS (0.43) | ALDH1A1GLAVDRTSHRSMN1; SMN2 | |
| SCHEMBL24329411 | 0.83 | FDPS (0.43) | ALDH1A1GLAVDRTSHRSMN1; SMN2 | |
| SCHEMBL7713504 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GLAVDRTSHRTP53 | |
| SCHEMBL1019652 | 0.80 | PKM (0.41) | ALDH1A1GLAVDRTSHRSCN9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839145-B1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2003-11-05 | — | — | EP | disclosed |
| US-5935973-A | AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS | KNOLL AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | disclosed |