Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL11360939 | 0.85 | CTSK (0.38) | MTNR1BHRH3MMP9MTNR1A | |
| SCHEMBL11366916 | 0.83 | CAPN1 (0.43) | ALDH1A1 | |
| SCHEMBL2067120 | 0.82 | BCHE (0.53) | CYP2D6BCHEACHEALDH1A1HRH3 | |
| SCHEMBL16596978 | 0.82 | BCHE (0.53) | CYP2D6BCHEACHEALDH1A1HRH3 | |
| SCHEMBL6545035 | 0.79 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL9151971 | 0.78 | CYP2D6 (0.61) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL8951697 | 0.78 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL11757293 | 0.78 | CYP2D6 (0.61) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL11447599 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL16596996 | 0.76 | BCHE (0.32) | CYP3A4CYP2D6CYP2C19BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5905153-A | INTERMEDIATES FOR MANUFACTURE OF DEXTROMETHORPHAN | ROCHE VITAMINS INC. (US) | 1999-05-18 | — | — | US | disclosed |
| US-4052389-A | DERIVATIVES OF 9,10-DIHYDROXY-1-(P-ALKOXYBENZYL)-PERHYDROISOQUINOLINE OXAZINE-3-ONE | BRISTOL-MYERS COMPANY (US) | 1977-10-04 | — | — | US | disclosed |