Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3023682 | 0.98 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL994346 | 0.98 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2227086 | 0.98 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL5266699 | 0.97 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL5266695 | 0.97 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL16333750 | 0.97 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL4221752 | 0.97 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL16333749 | 0.97 | CYP2D6 (0.64) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL556001 | 0.93 | CYP2D6 (0.59) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3459933 | 0.93 | CYP2D6 (0.59) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 |
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-2421867-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | Auspex Pharmaceuticals, Llc (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123919-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | AUSPEX PHARMACEUTICALS, LLC (US) | 2010-10-28 | — | — | WO | disclosed |