Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19683576 | 0.80 | MAOB (0.60) | MAOBMAOACYP3A4ESR1ESR2 | |
| SCHEMBL11643021 | 0.68 | MAOB (0.62) | MAOBMAOACYP3A4TNKSCYP1A1 | |
| SCHEMBL12279182 | 0.66 | MAOA (0.58) | MAOBMAOACYP3A4CYP1A1CYP1A2 | |
| SCHEMBL12279194 | 0.63 | CSNK2A2 (0.49) | MAOBMAOAESR1ESR2TNKS | |
| SCHEMBL27823703 | 0.63 | CYP19A1 (0.66) | MAOBALDH1A1CYP19A1KDM4ETSHR | |
| SCHEMBL19683526 | 0.62 | MAOB (0.51) | MAOBMAOACYP3A4ESR1ESR2 | |
| SCHEMBL19683462 | 0.62 | MAOB (0.47) | MAOBMAOATNKSCYP1A1CYP1A2 | |
| SCHEMBL29705976 | 0.61 | TNKS (0.56) | MAOBMAOACYP3A4TNKSCYP1A1 | |
| SCHEMBL19683551 | 0.61 | TNKS (0.56) | MAOBMAOACYP3A4TNKSCYP1A1 | |
| SCHEMBL4149155 | 0.61 | MAOB (0.69) | MAOBMAOACYP3A4ESR1ESR2 |
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-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |