Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21297548 | 0.81 | CYP2A6 (0.56) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL26873057 | 0.78 | CYP2A6 (0.53) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL7514592 | 0.76 | CYP2A6 (0.67) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL14299160 | 0.76 | CYP2A6 (0.42) | CYP2A6MAPTCYP1A2KDM4EALDH1A1 | |
| SCHEMBL26873044 | 0.74 | CYP2A6 (0.64) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL26873052 | 0.74 | CYP2A6 (0.53) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL22490104 | 0.72 | CYP2A6 (0.55) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL17532766 | 0.72 | GPR3 (0.57) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL14341057 | 0.71 | CYP2A6 (0.70) | CYP2A6MAOAMAPTCYP1A2KDM4E | |
| SCHEMBL24118989 | 0.70 | CYP2A6 (0.44) | CYP2A6MAOAMAPTCYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |