Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7985550 | 1.00 | SIGMAR1 (0.45) | SIGMAR1GRIN2BKCNH2CYP3A4MEN1 | |
| SCHEMBL7982956 | 0.81 | SIGMAR1 (0.55) | SIGMAR1 | |
| SCHEMBL27379000 | 0.69 | HTR2A (0.33) | CYP3A4MAPK1 | |
| SCHEMBL8797042 | 0.67 | CYP3A4 (0.47) | GRIN2BCYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL15731995 | 0.66 | SIGMAR1 (0.42) | SIGMAR1GRIN2BCYP3A4MEN1CYP2D6 | |
| Methane SCHEMBL28207565 | 0.66 | CYP3A4 (0.46) | GRIN2BCYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL26331345 | 0.66 | SIGMAR1 (0.42) | SIGMAR1GRIN2BCYP3A4MEN1CYP2D6 | |
| SCHEMBL7982781 | 0.66 | PDK2 (0.34) | — | |
| SCHEMBL28302686 | 0.65 | CYP3A4 (0.41) | SIGMAR1GRIN2BCYP3A4MEN1CYP2D6 | |
| SCHEMBL28145473 | 0.63 | CYP3A4 (0.43) | SIGMAR1GRIN2BCYP3A4MEN1CYP2D6 |
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-6239147-B1 | TO TREAT CNS, GASTROINTESTINAL AND OTHER DISORDERS. SUBSTANCE P ANTAGONISTS HAVING IMPROVED ACTIVITY AND FEWER SIDE EFFECTS, TREATMENT OF EMESIS INDUCED BY ANTINEOPLASTIC AGENTS, ISOCHROMAN RING | PFIZER INC | 2001-05-29 | — | — | US | disclosed |