Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.62 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8876901 | 1.00 | ABCG2 (0.62) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL8875978 | 0.85 | PPARG (0.45) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL8875995 | 0.85 | PPARG (0.45) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL8875983 | 0.85 | PPARG (0.45) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL10801234 | 0.83 | LMNA (0.47) | ABCG2ABCC1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL10801230 | 0.83 | LMNA (0.47) | ABCG2ABCC1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8875292 | 0.82 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1CYP1A2KDM4E | |
| SCHEMBL8875296 | 0.82 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1CYP1A2KDM4E | |
| SCHEMBL8875308 | 0.82 | ABCG2 (0.58) | ABCG2CYP1A1CYP1B1CYP1A2KDM4E | |
| SCHEMBL4282126 | 0.80 | ABCG2 (0.69) | ABCG2ABCC1CYP1A1CYP1B1CYP1A2 |
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-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |