Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 9/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8574013 | 0.89 | CISD1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8576671 | 0.87 | GABRP (0.45) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8055935 | 0.85 | GABRP (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8575436 | 0.84 | CA12 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8578495 | 0.81 | MCL1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3527127 | 0.81 | CA12 (0.41) | CISD1CA12CA1CA2CA3 | |
| SCHEMBL8577571 | 0.81 | CA12 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL6551567 | 0.80 | RARB (0.38) | CISD1CA12CA9LMNAMETAP2 | |
| SCHEMBL21623170 | 0.80 | CA12 (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL397474 | 0.78 | CA12 (0.54) | CISD1CA12CA1CA2CA3 |
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 |