Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19683341 | 0.96 | CYP1A1 (0.38) | MAOBMAOACYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL31672329 | 0.96 | CYP1A1 (0.38) | MAOBMAOACYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL31692104 | 0.90 | CYP1A1 (0.39) | MAOBMAOACYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL19683430 | 0.85 | CYP1A1 (0.43) | MAOBMAOACYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL19683316 | 0.82 | CYP26B1 (0.36) | MAOBCYP1A1ALDH1A1MAPTCYP1A2 | |
| SCHEMBL26725247 | 0.78 | ALOX5 (0.43) | MAOBMAOAALDH1A1MAPTHPGD | |
| SCHEMBL19683342 | 0.77 | CYP26B1 (0.39) | MAOBCYP1A1CYP1B1ALDH1A1MAPT | |
| SCHEMBL19683339 | 0.77 | CYP26B1 (0.33) | CYP1A1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL19683564 | 0.76 | CYP1A1 (0.37) | MAOBMAOACYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL17430702 | 0.75 | TSHR (0.56) | ALDH1A1MAPTCYP1A2HPGDTSHR |
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 |