Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832298 | 0.82 | ALDH1A1 (0.41) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7326649 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7318628 | 0.77 | PRKCG (0.61) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7318635 | 0.76 | MEN1 (0.39) | TDP1MEN1KMT2A | |
| SCHEMBL19922703 | 0.76 | PTGS2 (0.53) | CYP3A4CYP2C19TSHRTP53HSD17B10 | |
| SCHEMBL7324884 | 0.72 | CA2 (0.44) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7319325 | 0.72 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7328294 | 0.72 | CYP3A4 (0.58) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL7327972 | 0.69 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2C19TDP1TSHR | |
| SCHEMBL3969240 | 0.69 | ALDH1A1 (0.73) | TSHRMEN1KMT2ALMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287696-B1 | ISOQUINOLINE DERIVATIVES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-01-02 | — | — | EP | disclosed |
| EP-0287696-A1 | Isoquinoline derivatives | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-10-26 | — | — | EP | disclosed |