Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 16/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7827584 | 0.98 | KIF11 (0.57) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7827029 | 0.91 | KIF11 (0.47) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7847425 | 0.91 | KIF11 (0.57) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7827056 | 0.89 | KIF11 (0.44) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7466656 | 0.86 | KIF11 (0.45) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8314216 | 0.82 | CHRM3 (0.38) | KIF11CYP2C9CYP2C19 | |
| SCHEMBL8310962 | 0.80 | CHRM3 (0.39) | KIF11CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7830838 | 0.77 | KIF11 (0.54) | KIF11CYP3A4TAAR1 | |
| SCHEMBL10612619 | 0.76 | KIF11 (0.53) | KIF11KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29097001 | 0.75 | TDP1 (0.40) | KIF11CYP2D6CYP2C9CYP2C19TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129076-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029380-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2000-05-25 | — | — | WO | disclosed |
| US-5981521-A | USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION | ABBOTT LABORATORIES (US) | 1999-11-09 | — | — | US | disclosed |