Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 9/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 9/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9340467 | 0.99 | HTR4 (0.62) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13036127 | 0.88 | HTR4 (0.80) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7918881 | 0.77 | CHRNB2 (0.61) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7918883 | 0.77 | CHRNB2 (0.61) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3166017 | 0.77 | HTR4 (1.00) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7278463 | 0.77 | CYP2D6 (0.53) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7270653 | 0.75 | CYP2D6 (0.56) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7269282 | 0.75 | RAB9A (0.57) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7269463 | 0.74 | CYP2D6 (0.60) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7269469 | 0.74 | CYP2D6 (0.60) | HTR4ALDH1A1CYP1A2CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993003725-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-04 | — | — | WO | disclosed |