Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8784524 | 0.87 | KDM4E (0.58) | CYP2D6KDM4EATMNOS3NOS1 | |
| SCHEMBL8784287 | 0.85 | HTR1D (0.58) | CYP2D6KDM4EATMHTR1DHTR1B | |
| SCHEMBL8783770 | 0.80 | HTR2C (0.52) | CYP2D6NOS3NOS1HTR1DHTR1B | |
| SCHEMBL27328403 | 0.77 | NOTUM (0.36) | CYP2D6HTR1DHTR1BCYP1A2CYP3A4 | |
| SCHEMBL19210848 | 0.76 | KDM4E (0.70) | CYP2D6KDM4EATMSLC6A4 | |
| SCHEMBL8099607 | 0.73 | PIM1 (0.45) | CYP2D6KDM4EATMNOS3NOS1 | |
| SCHEMBL31130003 | 0.72 | NOTUM (0.50) | ATMHTR1DHTR1B | |
| SCHEMBL7489311 | 0.70 | HTR1D (0.74) | CYP2D6NOS3NOS1OPRM1OPRK1 | |
| SCHEMBL25759842 | 0.69 | ADRA1D (0.67) | CYP2D6KDM4EATMSLC6A4 | |
| SCHEMBL8572226 | 0.69 | KDM4E (0.60) | CYP2D6KDM4EATMNOS3NOS1 |
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-5602162-A | TREATMENT AND/OR PREVENTION OF MIGRAINE | MERCK, SHARP & DOHME LTD. (GB) | 1997-02-11 | — | — | US | disclosed |