Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.40 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.40 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.40 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27723628 | 0.84 | HTR7 (0.41) | CYP3A4ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL5137212 | 0.82 | HTR2A (0.42) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL5586538 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL5084553 | 0.81 | GABRP (0.39) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL4607693 | 0.78 | KDM4E (0.36) | ALDH1A1GAAKDM4EHSD17B10LMNA | |
| SCHEMBL4760683 | 0.78 | CA12 (0.41) | CYP2D6ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL4596514 | 0.77 | CYP1A1 (0.41) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL4596512 | 0.76 | CYP1A1 (0.40) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1 | |
| SCHEMBL4770057 | 0.75 | S1PR4 (0.37) | ALDH1A1HTTGAAMAPK1KDM4E | |
| SCHEMBL4230908 | 0.73 | AQP1 (0.50) | CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1 |
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-1871354-A1 | TREATMENT OF PAIN | Wyeth (US) | 2008-01-02 | — | — | EP | claimed |
| WO-2006116171-A1 | TREATMENT OF PAIN | WYETH (US) | 2006-11-02 | — | — | WO | claimed |