Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | TACR3 | P29371 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27766238 | 0.88 | HTR2A (0.50) | HTR2AKCNH2TACR3CYP1A2CYP3A4 | |
| SCHEMBL27766101 | 0.85 | HTR2A (0.64) | HTR2AHTR2CKDM4EHPGDNR2E1 | |
| SCHEMBL15752082 | 0.85 | NR2E1 (0.49) | HTR2AKCNH2TACR3CYP1A2CYP3A4 | |
| SCHEMBL27787887 | 0.84 | TACR3 (0.46) | HTR2ATACR3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3147689 | 0.81 | HTR2A (0.73) | HTR2AKCNH2TACR3CYP1A2CYP3A4 | |
| SCHEMBL28784471 | 0.76 | TSHR (0.48) | HTR2AHTR2CALDH1A1MEN1KMT2A | |
| SCHEMBL27766123 | 0.74 | HTR2A (0.49) | HTR2AKCNH2HTR2CLMNA | |
| SCHEMBL27766311 | 0.74 | HTR2A (0.50) | HTR2AKCNH2HTR2CALDH1A1KDM4E | |
| SCHEMBL27787836 | 0.74 | HTR2A (0.66) | HTR2AKCNH2HTR2CSMN1; SMN2RAB9A | |
| SCHEMBL27787886 | 0.72 | PRCP (0.46) | HTR2ATACR3CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611013-A | As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto | ARENA PHARM INC (US) | 2009-12-23 | — | — | CN | claimed |
| CN-102838546-A | Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto | ARENA PHARM INC | 2012-12-26 | — | — | CN | disclosed |