Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.37 |
| ▸ | CDC25B | P30305 | 3/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL11752429 | 0.80 | SLC22A12 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11752763 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11754285 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11753089 | 0.77 | HRH3 (0.44) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11045896 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11747917 | 0.74 | HRH3 (0.52) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11043419 | 0.72 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29278086 | 0.72 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11040891 | 0.71 | HRH3 (0.56) | ALDH1A1MAPTCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9923553 | 0.71 | ADORA2A (0.49) | 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 |