Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.46 |
| ▸ | MASP2 | O00187 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2799383 | 0.98 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL2802535 | 0.96 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| Pyridine SCHEMBL27754548 | 0.89 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL7046389 | 0.82 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL9560922 | 0.79 | DDAH1 (0.51) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL11355886 | 0.79 | KDM4E (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7288146 | 0.76 | POLB (0.45) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL7289165 | 0.75 | NPC1 (0.46) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| SCHEMBL7289169 | 0.75 | RAB9A (0.46) | ALDH1A1NPC1RAB9ANPSR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10849340 | 0.74 | PDE3B (0.35) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5077407-A | Substituted 2-[monoannelated (3,4-,4,5-, and 5,6-) pyridylalkylenesulfinyl]benzimidazoles | THE UPJOHN COMPANY (US) | 1991-12-31 | — | — | US | disclosed |
| EP-0130729-A2 | Alkylthio- and alkylsulfinyl-benzimidazole derivatives | THE UPJOHN COMPANY (US) | 1985-01-09 | — | — | EP | disclosed |