Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.57 |
| ▸ | NOS3 | P29474 | 1/20 | 0.57 |
| ▸ | NOS1 | P29475 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 5/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12195201 | 0.85 | RAB9A (0.61) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9279504 | 0.83 | RAB9A (0.69) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL8309586 | 0.82 | NOS3 (0.58) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL9279554 | 0.82 | NOS3 (0.58) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL9280341 | 0.80 | NOS3 (0.61) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL9275286 | 0.79 | AR (0.64) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL9279489 | 0.78 | RAB9A (0.65) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL9275166 | 0.77 | RAB9A (0.73) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL8307517 | 0.77 | RAB9A (0.55) | NOS2NOS3NOS1CYP1A2CYP2E1 | |
| SCHEMBL28059386 | 0.76 | CYP1A2 (0.69) | NOS2NOS3NOS1CYP1A2CYP2E1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0683776-B1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEM FAB (DE) | 1999-04-07 | — | — | EP | disclosed |
| US-5587389-A | Substituted heteroarylaklylthiopyridines for controlling helicobacter bacteria | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-12-24 | — | — | US | disclosed |
| WO-1994019346-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-09-01 | — | — | WO | disclosed |