Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.44 |
| ▸ | P4HA1 | P13674 | 3/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 8/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11817799 | 0.81 | ALOX15 (0.47) | ALDH1A1ALOX15 | |
| 6-Mercaptonicotinic Acid SCHEMBL796849 | 0.80 | GABRP (0.63) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| 6-Mercaptonicotinic Acid SCHEMBL31589674 | 0.80 | GABRP (0.63) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| 6-Mercaptonicotinic Acid SCHEMBL27863095 | 0.79 | GABRP (0.61) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29512236 | 0.75 | — | — | |
| SCHEMBL599018 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL843866 | 0.73 | — | — | |
| 6-Mercaptonicotinic Acid SCHEMBL7484954 | 0.70 | ALDH1A1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL181465 | 0.69 | HDAC1 (0.62) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL30544993 | 0.69 | HDAC1 (0.62) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0001989-A1 | Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use | MERCK & CO. INC. (US) | 1979-05-30 | — | — | EP | disclosed |