Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL12433584 | 0.88 | CYP1A2 (0.46) | MAOACYP1A2AHRKDM4EALDH1A1 | |
| SCHEMBL18810722 | 0.87 | DYRK1A (0.42) | MAOACYP1A2AHRALDH1A1CYP2A6 | |
| SCHEMBL14134120 | 0.86 | MAOA (0.49) | MAOACYP1A2AHRKDM4EALDH1A1 | |
| SCHEMBL12433585 | 0.84 | MAOA (0.41) | MAOACYP1A2AHRKDM4EALDH1A1 | |
| SCHEMBL15725991 | 0.84 | KDM4E (0.43) | MAOACYP1A2AHRKDM4EALDH1A1 | |
| SCHEMBL13924664 | 0.80 | ALDH2 (0.47) | MAOACYP1A2ALDH2KDM4EALDH1A1 | |
| SCHEMBL12433589 | 0.78 | CYP1A2 (0.41) | MAOACYP1A2AHRKDM4EALDH1A1 | |
| SCHEMBL10109874 | 0.78 | HNF4A (0.50) | CYP1A2AHRKDM4EALDH1A1CYP2A6 | |
| SCHEMBL29705944 | 0.77 | MAOA (0.37) | MAOAALDH2AHRKDM4EALDH1A1 | |
| SCHEMBL29705970 | 0.77 | NQO1 (0.44) | MAOAALDH2AHRKDM4EALDH1A1 |
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-2018097937-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |