Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31672329 | 1.00 | CYP1A1 (0.38) | CYP1A1CYP1B1MAOAMAOBCYP1A2 | |
| SCHEMBL19683540 | 0.96 | MAOB (0.36) | CYP1A1CYP1B1MAOAMAOBCYP1A2 | |
| SCHEMBL31692104 | 0.94 | CYP1A1 (0.39) | CYP1A1CYP1B1MAOAMAOBCYP1A2 | |
| SCHEMBL19683430 | 0.89 | CYP1A1 (0.43) | CYP1A1CYP1B1MAOAMAOBCYP1A2 | |
| SCHEMBL19683316 | 0.85 | CYP26B1 (0.36) | CYP1A1MAOBCYP1A2RAB9ATP53 | |
| SCHEMBL26725247 | 0.81 | ALOX5 (0.43) | MAOAMAOBNPC1RAB9AKDM4E | |
| SCHEMBL19683342 | 0.80 | CYP26B1 (0.39) | CYP1A1CYP1B1MAOBCYP1A2TP53 | |
| SCHEMBL19683339 | 0.80 | CYP26B1 (0.33) | CYP1A1CYP1A2RAB9ATP53ABCB1 | |
| SCHEMBL19683564 | 0.80 | CYP1A1 (0.37) | CYP1A1CYP1B1MAOAMAOBCYP1A2 | |
| SCHEMBL19683432 | 0.78 | CYP26B1 (0.41) | CYP1A1CYP1B1CYP1A2ABCB1ABCG2 |
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 |