Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8715153 | 0.71 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3SIGMAR1CYP1A2 | |
| SCHEMBL8714548 | 0.70 | SLC6A4 (0.40) | HRH3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL24638184 | 0.66 | HRH3 (0.44) | HRH3SLC6A4SLC6A2SLC6A3SIGMAR1 | |
| SCHEMBL1823464 | 0.64 | HRH3 (0.47) | HRH3SLC6A4SIGMAR1CYP1A2CYP2A6 | |
| SCHEMBL6240981 | 0.62 | CYP1A2 (0.65) | HRH3SLC6A4SIGMAR1CYP1A2CYP2A6 | |
| SCHEMBL29560700 | 0.62 | CYP1A2 (0.65) | HRH3SLC6A4SIGMAR1CYP1A2CYP2A6 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL28361667 | 0.60 | HRH3 (0.62) | HRH3SLC6A4SIGMAR1CHKACYP1A2 | |
| SCHEMBL24398888 | 0.59 | CYP1A2 (0.56) | HRH3SLC6A4SIGMAR1CYP1A2CYP2A6 | |
| SCHEMBL140016 | 0.59 | CYP1A2 (0.68) | HRH3SLC6A4SIGMAR1CNR1CNR2 | |
| SCHEMBL20612472 | 0.59 | HRH3 (0.76) | HRH3SLC6A4SIGMAR1CHKACYP1A2 |
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-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |