Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | PGR | P06401 | 2/20 | 0.59 |
| ▸ | RORA | P35398 | 2/20 | 0.59 |
| ▸ | RORC | P51449 | 2/20 | 0.59 |
| ▸ | RORB | Q92753 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7437388 | 0.85 | ALDH1A1 (0.66) | KDM4EALDH1A1HPGDLMNAPGR | |
| SCHEMBL27854528 | 0.83 | MEN1 (0.74) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL27854540 | 0.82 | L3MBTL1 (0.69) | KDM4EALDH1A1HPGDLMNAPGR | |
| SCHEMBL8784179 | 0.80 | AGTR1 (0.55) | KDM4EALDH1A1HPGDLMNAPGR | |
| SCHEMBL7347701 | 0.79 | CNR2 (0.50) | KDM4EALDH1A1HPGDLMNAPGR | |
| SCHEMBL29280449 | 0.79 | MEN1 (0.74) | KDM4EALDH1A1HPGDLMNAHTT | |
| Hydrochloric Acid SCHEMBL7347698 | 0.78 | CNR2 (0.55) | KDM4EALDH1A1HPGDPGRRORA | |
| Hydrochloric Acid SCHEMBL7348525 | 0.78 | CNR2 (0.52) | KDM4EALDH1A1HPGDPGRRORA | |
| SCHEMBL6126717 | 0.78 | HTT (0.74) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL7439911 | 0.77 | HTR3A (0.68) | — |
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 |