Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29167112 | 0.78 | CHRNA7 (0.39) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL29167013 | 0.72 | CHRNA7 (0.39) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL31617173 | 0.70 | CHRNA7 (0.39) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL28081935 | 0.65 | MAOA (0.50) | CHRNA7CYP2A6CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL22660502 | 0.65 | MAOA (0.46) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL30385240 | 0.65 | MAOA (0.46) | CHRNA7CYP2A6CYP1A2CYP2D6HRH1 | |
| SCHEMBL31617200 | 0.64 | MAPK1 (0.37) | ALDH1A1PKM | |
| SCHEMBL9270272 | 0.63 | KCNQ2 (0.53) | CHRNA7CYP2A6CYP1A2CYP2D6LTA4H | |
| SCHEMBL45429 | 0.61 | — | — | |
| Picolamine SCHEMBL17850 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |