Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA3 | P07451 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA6 | P23280 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.46 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8573325 | 0.86 | CA12 (0.65) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8575404 | 0.82 | MCL1 (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6551060 | 0.77 | CA12 (0.59) | CA12CA1CA2CA3CA4 | |
| SCHEMBL1763610 | 0.76 | CA12 (0.50) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8574020 | 0.75 | CA12 (0.46) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8577571 | 0.73 | CA12 (0.47) | CA12CA1CA2CA3CA4 | |
| SCHEMBL7450372 | 0.73 | LCK (0.57) | CA12CA1CA2CA3CA4 | |
| SCHEMBL21623207 | 0.72 | CA12 (0.54) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8577587 | 0.72 | CISD1 (0.45) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8576649 | 0.71 | ALDH1A1 (0.47) | CA12CA1CA2CA3CA4 |
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 |