Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 6/20 | 0.59 |
| ▸ | HTR3B | O95264 | 6/20 | 0.59 |
| ▸ | HTR3A | P46098 | 6/20 | 0.59 |
| ▸ | HTR3D | Q70Z44 | 6/20 | 0.59 |
| ▸ | HTR3C | Q8WXA8 | 6/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.55 |
| ▸ | RORA | P35398 | 1/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.55 |
| ▸ | RORB | Q92753 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.52 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.52 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.52 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.52 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7437593 | 0.96 | ALDH1A1 (0.63) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL7435320 | 0.95 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL7434216 | 0.92 | KDM4E (0.64) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL7436539 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL7435807 | 0.84 | HTR3E (0.64) | ALDH1A1KDM4EGAAHTR3EHTR3B | |
| SCHEMBL7429517 | 0.84 | KDM4E (0.55) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL7437043 | 0.82 | HTR3E (0.61) | ALDH1A1KDM4EGAAHSD17B10HTR3E | |
| SCHEMBL1790843 | 0.81 | ALDH1A1 (1.00) | ALDH1A1KDM4EHTR3EHTR3BHTR3A | |
| SCHEMBL10381468 | 0.80 | ALDH1A1 (0.71) | ALDH1A1KDM4EPGRRORARORC | |
| SCHEMBL7437828 | 0.79 | KDM4E (0.62) | ALDH1A1KDM4EGAAHSD17B10HTR3E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458636-B1 | Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them | KYOWA HAKKO KOGYO KK (JP) | 1995-07-12 | — | — | EP | disclosed |
| US-5248684-A | CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-09-28 | — | — | US | disclosed |
| EP-0458636-A1 | Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them | KYOWA HAKKO KOGYO CO., LTD (JP) | 1991-11-27 | — | — | EP | disclosed |