Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1883283 | 1.00 | CA2 (0.47) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL17282519 | 0.93 | CA2 (0.53) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL6973472 | 0.90 | CA2 (0.57) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL6973466 | 0.90 | CA2 (0.57) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL1019038 | 0.87 | FFAR1 (0.49) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL1018787 | 0.87 | FFAR1 (0.49) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL1019975 | 0.87 | FFAR1 (0.49) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL11102654 | 0.87 | LMNA (0.48) | CA2ALDH1A1CYP3A4CYP2D6TSHR | |
| SCHEMBL1044755 | 0.86 | CA2 (0.53) | CA2CYP2C9LMNAFFAR1SMN1; SMN2 | |
| SCHEMBL1872709 | 0.86 | CA2 (0.47) | CA2ALDH1A1CYP3A4CYP2D6TSHR |
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 5 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-6136825-A | ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS | KNOLL AKTIENGESELLSCHAFT | 2000-10-24 | — | — | US | 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 |