Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1190095 | 0.89 | CYP3A4 (0.50) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL75705 | 0.79 | CYP3A4 (0.54) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL18886174 | 0.77 | CYP3A4 (0.52) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL30713583 | 0.77 | CYP2D6 (0.44) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL4713852 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL21639945 | 0.73 | CYP3A4 (0.57) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL21133658 | 0.73 | NPSR1 (0.51) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL70986 | 0.72 | OPRM1 (0.49) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL8941915 | 0.72 | OPRM1 (0.49) | CYP3A4CYP2D6ALOX15OPRL1OPRM1 | |
| SCHEMBL7691375 | 0.72 | OPRL1 (0.60) | CYP3A4CYP2D6OPRL1OPRM1OPRD1 |
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-5556861-A | 1,8 benzonaphthyridine derivatives and antimicrobial compositions | LABORATOIRE ROGER BELLON (FR) | 1996-09-17 | — | — | US | disclosed |