Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 12/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9839488 | 1.00 | SLC6A3 (0.47) | SLC6A3SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL7366491 | 0.83 | SLC6A2 (0.45) | SLC6A3SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL28202984 | 0.80 | SLC6A3 (0.49) | SLC6A3SLC6A2SLC6A4CYP2D6KCNH2 | |
| SCHEMBL7004268 | 0.78 | KDM1A (0.48) | SLC6A3SLC6A2CYP2D6KCNH2CYP1A2 | |
| SCHEMBL7004269 | 0.78 | KDM1A (0.48) | SLC6A3SLC6A2CYP2D6KCNH2CYP1A2 | |
| SCHEMBL8146309 | 0.78 | KDM1A (0.48) | SLC6A3SLC6A2CYP2D6KCNH2CYP1A2 | |
| SCHEMBL7095292 | 0.78 | KDM1A (0.48) | SLC6A3SLC6A2CYP2D6KCNH2CYP1A2 | |
| SCHEMBL731263 | 0.76 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4 | |
| Methyl Alcohol SCHEMBL9515247 | 0.75 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4 | |
| Methyl Alcohol SCHEMBL9515250 | 0.75 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0154528-B1 | ALKENE, ALKYNE OR CYCLOALKYLENE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-11 | — | — | EP | disclosed |
| US-5032592-A | Antiandrogens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-07-16 | — | — | US | disclosed |
| US-4873329-A | ANTIANDROGENS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-10-10 | — | — | US | disclosed |
| EP-0154528-A2 | Alkene, alkyne or cycloalkylene derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-11 | — | — | EP | disclosed |