Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CFTR | P13569 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | C1S | P09871 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7440522 | 0.86 | CYP3A4 (0.61) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL7426086 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL7426082 | 0.84 | MEN1 (0.51) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL3749301 | 0.82 | ALDH1A1 (0.67) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL13078605 | 0.81 | ALDH1A1 (0.59) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL3609002 | 0.81 | CFTR (0.60) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL474410 | 0.80 | LTA4H (0.67) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| Bromide SCHEMBL8357468 | 0.79 | LTA4H (0.65) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL13044095 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EMEN1KMT2ACFTR | |
| SCHEMBL1198896 | 0.77 | ALDH1A1 (0.56) | ALDH1A1KDM4EMEN1KMT2ACFTR |
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 |
|---|---|---|---|---|---|---|---|
| US-5665724-A | Substituted pyrimidinylaminothiazole derivatives useful as platelet aggregation inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-09-09 | — | — | US | disclosed |
| US-5530000-A | Substituted pyrimidinylaminothiazole derivatives useful as platelet aggreggation inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-06-25 | — | — | US | disclosed |
| US-5405848-A | Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-04-11 | — | — | US | disclosed |