Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4451077 | 1.00 | KDM4E (0.37) | KDM4ENOTUMSLC6A9CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10490746 | 0.99 | KDM4E (0.36) | KDM4ENOTUMSLC6A9CYP3A4CYP2D6 | |
| SCHEMBL9272438 | 0.79 | AKR1C4 (0.37) | NOTUMSLC6A9CYP2D6MYCALDH1A1 | |
| Benzoic Acid SCHEMBL10636940 | 0.73 | PRKAG1 (0.37) | KDM4ESLC6A9ALDH1A1 | |
| SCHEMBL7458612 | 0.66 | OPRM1 (0.34) | SLC6A9 | |
| SCHEMBL7273067 | 0.64 | HTR3E (0.45) | KDM4ENOTUMCYP2D6LMNA | |
| SCHEMBL7267112 | 0.64 | HTR3E (0.45) | KDM4ENOTUMCYP2D6LMNA | |
| SCHEMBL7898112 | 0.62 | OPRK1 (0.31) | — | |
| SCHEMBL27536215 | 0.62 | ACMSD (0.46) | KDM4ENOTUMMYCLMNA | |
| SCHEMBL4669798 | 0.61 | OPRK1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0433043-A1 | Medicaments | GLAXO GROUP LIMITED (GB) | 1991-06-19 | — | — | EP | claimed |
| US-4851407-A | Novel treatment | BEECHAM GROUP, P.L.C. (GB) | 1989-07-25 | — | — | US | claimed |
| US-4783478-A | Treatment of emesis, nausea and vomiting | BEECHAM GROUP P.L.C. (GB) | 1988-11-08 | — | — | US | claimed |
| EP-0201165-A2 | Medicaments for the treatment of emesis | BEECHAM GROUP PLC (GB) | 1986-11-12 | — | — | EP | claimed |
| EP-0433043-A1 | Medicaments | GLAXO GROUP LIMITED (GB) | 1991-06-19 | — | — | EP | disclosed |