Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 5/20 | 0.50 |
| ▸ | MET | P08581 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11383868 | 0.86 | CYP1A2 (0.74) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL11394597 | 0.85 | CYP1A2 (0.56) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL11397300 | 0.84 | CYP1A2 (0.69) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL20203739 | 0.82 | CYP1A2 (0.74) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL2764591 | 0.80 | KDM4E (0.68) | CYP1A2ALDH1A1KDM4ECYP3A4GABRA1 | |
| SCHEMBL4502162 | 0.80 | FYN (0.52) | CYP1A2ALDH1A1KDM4ECYP3A4GABRA1 | |
| SCHEMBL11628686 | 0.80 | KDM4E (0.69) | CYP1A2ALDH1A1KDM4ECYP3A4GABRA1 | |
| SCHEMBL20203788 | 0.80 | CYP1A2 (0.56) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 | |
| SCHEMBL20203954 | 0.79 | CYP1A2 (0.67) | CYP1A2SCN5AALDH1A1HPGDHSD17B10 | |
| SCHEMBL20203799 | 0.78 | CYP1A2 (0.59) | CYP1A2SCN5AALDH1A1KDM4ECYP3A4 |
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-4260755-A | Novel 6-phenyl and substituted 6-phenyl-1,2,4-triazolo[4,3-b]pyridazines | AMERICAN CYANAMID COMPANY (US) | 1981-04-07 | — | — | US | disclosed |