Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.61 |
| ▸ | NOS1 | P29475 | 1/20 | 0.61 |
| ▸ | NOS2 | P35228 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 10/20 | 0.56 |
| ▸ | NPC1 | O15118 | 9/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9279504 | 0.91 | RAB9A (0.69) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9279554 | 0.89 | NOS3 (0.58) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9275166 | 0.89 | RAB9A (0.73) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL12604481 | 0.85 | RAB9A (0.77) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL31325620 | 0.85 | RAB9A (0.77) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9275286 | 0.82 | AR (0.64) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9279489 | 0.81 | RAB9A (0.65) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL9286390 | 0.81 | NOS3 (0.53) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL8309586 | 0.80 | NOS3 (0.58) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL8307494 | 0.80 | NOS2 (0.57) | NOS3NOS1NOS2CYP1A2CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0673246-A1 | USE OF ALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994013290-A1 | USE OF ALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |