Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 SCHEMBL9872392 | 0.99 | CYP3A4 (0.39) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL9871149 | 0.88 | CYP3A4 (0.38) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL9872164 | 0.87 | METAP1 (0.39) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL11398452 | 0.83 | HTR6 (0.46) | ALDH1A1TSHRHTR6 | |
| SCHEMBL4077482 | 0.79 | CYP3A4 (0.59) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL5202651 | 0.78 | CYP3A4 (0.58) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL9369470 | 0.76 | CYP3A4 (0.70) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL7429773 | 0.76 | HTR6 (0.51) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL7432465 | 0.76 | CYP3A4 (0.47) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Hydrochloric Acid SCHEMBL9870422 | 0.76 | PAX8 (0.35) | CYP3A4KCNH2CYP1A2CYP2D6HTR3A |
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 |
|---|---|---|---|---|---|---|---|
| US-5030646-A | Treatment of diseases resulting from disfunction of seretoninergic system | ADIR ET COMPAGNIE (FR) | 1991-07-09 | — | — | US | disclosed |