Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.48 |
| ▸ | CA1 | P00915 | 7/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.48 |
| ▸ | CA7 | P43166 | 5/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL11780103 | 0.87 | ESR1 (0.43) | CA2CA1CA12CA14CA7 | |
| SCHEMBL29112120 | 0.85 | ALDH1A1 (0.49) | CA2CA1CA12CA14CA7 | |
| SCHEMBL11436114 | 0.82 | GABRA1 (0.47) | CA2CA1CA12CA14CA7 | |
| SCHEMBL7093557 | 0.78 | KDM4E (0.52) | CA2CA1CA12CA14CA7 | |
| SCHEMBL8579275 | 0.78 | MAPT (0.61) | CA2CA1CA12CA9HPGD | |
| SCHEMBL9704212 | 0.76 | PTGER4 (0.49) | HPGDHSD17B10ALDH1A1THRBEGFR | |
| SCHEMBL1462600 | 0.76 | HSD17B10 (0.52) | CA2CA1CA12CA14CA7 | |
| SCHEMBL1728306 | 0.75 | MAPK1 (0.47) | CA2CA1CA12CA14CA7 | |
| SCHEMBL31440643 | 0.75 | TDP1 (0.48) | CA2CA1CA12CA14CA7 | |
| Water SCHEMBL2704404 | 0.73 | MAPK1 (0.46) | CA2CA1CA12CA14CA7 |
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 6 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 |
| US-3987004-A | CYCLIC CARBONATE, AMINE ANTIOXIDANT | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |
| US-3985705-A | AGAINST THERMAL DEGRADATION | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1976-10-12 | — | — | US | disclosed |