Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2066096 | 0.82 | OPRK1 (0.43) | OPRK1HRH3 | |
| SCHEMBL8951802 | 0.71 | ALDH1A1 (0.37) | HRH3ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12859662 | 0.68 | ALDH1A1 (0.54) | EPHX2ALDH1A1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL2064253 | 0.68 | ALDH1A1 (0.54) | EPHX2ALDH1A1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL8477000 | 0.67 | CYP3A4 (0.39) | HRH3ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3365060 | 0.66 | LTA4H (0.51) | HRH3EPHX2 | |
| SCHEMBL6628369 | 0.64 | LTA4H (0.54) | HRH3EPHX2 | |
| SCHEMBL28728795 | 0.64 | SIGMAR1 (0.56) | KMT2A | |
| SCHEMBL11768994 | 0.64 | HRH3 (0.46) | HRH3HPGD | |
| SCHEMBL11760698 | 0.64 | HRH3 (0.46) | HRH3HPGD |
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-5512577-A | Bicyclic hexahydroaporphine and 1-benzyloctahydroisoquinoline therapeutic compositions and processes for utilizing said compositions | CREIGHTON UNIVERSITY (US) | 1996-04-30 | — | — | US | disclosed |