Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MASP2 | O00187 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 2-Mercaptobenzimidazole SCHEMBL36857 | 0.92 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL29368206 | 0.92 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL21384867 | 0.90 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL11814321 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL8218023 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL9145547 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL11207938 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL9355771 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL9145554 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| 2-Mercaptobenzimidazole SCHEMBL4911436 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4619760-A | TREATMENT WITH CARBON DISULFIDE | PHILLIPS PETROLEUM COMPANY (US) | 1986-10-28 | — | — | US | disclosed |