Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.62 |
| ▸ | NPC1 | O15118 | 8/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | NOS2 | P35228 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GALR3 | O60755 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9278218 | 0.91 | RAB9A (0.60) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10862355 | 0.90 | RAB9A (0.52) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9278510 | 0.89 | RAB9A (0.64) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9275547 | 0.88 | RAB9A (0.66) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8412992 | 0.88 | NPC1 (0.60) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8914605 | 0.88 | NPC1 (0.60) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9279925 | 0.88 | RAB9A (0.59) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8914814 | 0.87 | EPHX2 (0.61) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7812133 | 0.87 | NPC1 (0.59) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8916118 | 0.87 | RAB9A (0.56) | RAB9ANPC1CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0150586-B1 | 2-(PYRIDYLMETHYLTHIO)BENZIMIDAZOLES AND 2-(PYRIDYLMETHYLSULFINYL)BENZIMIDAZOLES | THE UPJOHN COMPANY (US) | 1991-05-08 | — | — | EP | claimed |
| EP-0150586-A2 | 2-(Pyridylmethylthio)benzimidazoles and 2-(pyridylmethylsulfinyl)benzimidazoles | THE UPJOHN COMPANY (US) | 1985-08-07 | — | — | EP | claimed |
| US-4873337-A | N-substituted derivatives of 2-(pyridylalkenesulfinyl) benzimidazoles as gastric antisecretory agents | THE UPJOHN COMPANY (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0176308-A2 | 2-(Pyridylalkylenesulfinyl) benzimidazoles | THE UPJOHN COMPANY (US) | 1986-04-02 | — | — | EP | disclosed |