Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | APEX1 | P27695 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21297546 | 0.81 | CYP2A6 (0.52) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL17532766 | 0.80 | GPR3 (0.57) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL26873055 | 0.78 | CYP2A6 (0.63) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL17532761 | 0.77 | GPR3 (0.53) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL22490104 | 0.76 | CYP2A6 (0.55) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL14341059 | 0.74 | CYP2A6 (0.70) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL26873305 | 0.74 | CYP2A6 (0.70) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL14341057 | 0.74 | CYP2A6 (0.70) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL12266516 | 0.73 | CYP2A6 (0.56) | CYP2A6CYP1A2MAOACYP3A4MAPT | |
| SCHEMBL17051654 | 0.73 | CCR1 (0.42) | CYP2A6CYP1A2MAOACYP3A4MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230134873-A1 | COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-05-04 | — | — | US | disclosed |
| US-10396286-B2 | Regioregular pyridal[2,1,3]thiadiazole π-conjugated copolymers for organic semiconductors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-08-27 | — | — | US | disclosed |