Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CCNH | P51946 | 1/20 | 0.34 |
| ▸ | MNAT1 | P51948 | 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 | |
|---|---|---|---|---|
| SCHEMBL29752613 | 0.89 | MAOA (0.62) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL623741 | 0.89 | MAOA (0.62) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL12279132 | 0.87 | MAOA (0.55) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL16319037 | 0.84 | MAOA (0.57) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL12278144 | 0.82 | PAX8 (0.45) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL15465932 | 0.82 | PAX8 (0.45) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL17426271 | 0.82 | PAX8 (0.45) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL19683358 | 0.79 | MAOA (0.52) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL4429415 | 0.76 | PAX8 (0.48) | MAOAMAOBNFKB1CYP1A1CYP1B1 | |
| SCHEMBL6237203 | 0.75 | HPRT1 (0.58) | MAOAMAOBNFKB1CYP1A1CYP1B1 |
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 |