Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA3 | P07451 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA6 | P23280 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | DTYMK | P23919 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 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 | |
|---|---|---|---|---|
| SCHEMBL8572720 | 0.86 | CA12 (0.63) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL8578530 | 0.82 | MCL1 (0.45) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL29940365 | 0.78 | DTYMK (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL16117988 | 0.78 | DTYMK (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19DTYMK | |
| SCHEMBL6551060 | 0.76 | CA12 (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL22324479 | 0.76 | DTYMK (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL2721268 | 0.75 | DTYMK (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL16676395 | 0.74 | TSHR (0.47) | ALDH1A1CYP1A2DTYMKPOLBGPR35 | |
| SCHEMBL1763610 | 0.74 | CA12 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19CA12 | |
| SCHEMBL14157498 | 0.74 | DTYMK (0.46) | ALDH1A1DTYMKGPR35TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1068587-C | Ortho-substituted benzoic acid derivatives | MERCK PATENT GMBH (DE) | 2001-07-18 | — | — | CN | disclosed |
| US-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |
| CN-1125722-A | Ortho-substituted benzoic acid derivatives | MERCK PATENT GMBH (DE) | 1996-07-03 | — | — | CN | disclosed |
| EP-0704431-A2 | Ortho-substituted benzoic acid derivatives | MERCK PATENT GmbH (DE) | 1996-04-03 | — | — | EP | disclosed |