Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | GCGR | P47871 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11754207 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11753179 | 0.89 | ALDH1A1 (0.60) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11756109 | 0.88 | NPSR1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C19XIAP | |
| SCHEMBL11755758 | 0.88 | NPSR1 (0.46) | ALDH1A1MAPTCYP1A2CYP2C19XIAP | |
| SCHEMBL11755296 | 0.86 | KDM4E (0.55) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11752931 | 0.86 | KDM4E (0.55) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11747471 | 0.85 | MAPT (0.54) | ALDH1A1MAPTXIAPGAAKDM4E | |
| SCHEMBL11753987 | 0.85 | MAPT (0.54) | ALDH1A1MAPTXIAPGAAKDM4E | |
| SCHEMBL11758721 | 0.84 | SMN1; SMN2 (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11753711 | 0.84 | RORB (0.47) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |