Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 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 | |
|---|---|---|---|---|
| SCHEMBL31605927 | 0.84 | CYP1A2 (0.44) | CYP1A2CNR2HTR2ACYP3A4MAOB | |
| SCHEMBL6378774 | 0.84 | CYP1A2 (0.44) | CYP1A2CNR2HTR2ACYP3A4MAOB | |
| SCHEMBL6897130 | 0.81 | MEN1 (0.42) | CYP1A2CNR2HTR2ACYP3A4 | |
| SCHEMBL6897132 | 0.81 | MEN1 (0.42) | CYP1A2CNR2HTR2ACYP3A4 | |
| SCHEMBL23357393 | 0.79 | CYP1A2 (0.41) | CYP1A2CNR2CYP3A4MAOBALDH1A1 | |
| SCHEMBL27876516 | 0.79 | CYP1A2 (0.48) | CYP1A2CNR2CYP3A4ALDH1A1 | |
| SCHEMBL28461212 | 0.79 | CYP1A2 (0.48) | CYP1A2CNR2CYP3A4ALDH1A1 | |
| SCHEMBL1853494 | 0.78 | CYP1A2 (0.46) | CYP1A2CNR2CYP3A4MAOBALDH1A1 | |
| SCHEMBL1853495 | 0.78 | CYP1A2 (0.46) | CYP1A2CNR2CYP3A4MAOBALDH1A1 | |
| SCHEMBL31398436 | 0.77 | MEN1 (0.45) | CYP1A2CNR2CYP3A4ALDH1A1 |
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-4173649-A | ANTIULCER AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-11-06 | — | — | US | disclosed |