Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYAT1 | Q16773 | 1/20 | 0.51 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.51 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30373725 | 0.82 | ALDH1A1 (0.45) | KYAT1KYAT3AADATALDH1A1ACHE | |
| SCHEMBL28990291 | 0.82 | ALDH1A1 (0.45) | KYAT1KYAT3AADATALDH1A1ACHE | |
| SCHEMBL28999685 | 0.78 | PPARG (0.48) | ALDH1A1ACHEBACE1CYP19A1MAOB | |
| SCHEMBL28555018 | 0.77 | CYP19A1 (0.55) | ALDH1A1CYP19A1MAOBCYP3A4MAPT | |
| SCHEMBL14007732 | 0.76 | ESR2 (0.43) | ALDH1A1DRD2DRD3CA2CA5A | |
| SCHEMBL14389073 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP19A1MAOBCYP3A4MAPT | |
| SCHEMBL12283677 | 0.74 | PPARG (0.51) | ALDH1A1BACE1CYP19A1MAOBMAPT | |
| SCHEMBL28999667 | 0.73 | PPARG (0.54) | ALDH1A1BACE1MAOBMAPTPPARG | |
| SCHEMBL10206132 | 0.73 | ACHE (0.69) | KYAT1KYAT3AADATACHEDRD2 | |
| SCHEMBL14495775 | 0.72 | CA12 (0.54) | ALDH1A1CA2CA5AMAPT |
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-5441974-A | Phenyl amidines lactones useful as platelet aggregation inhibitors | G. D. SEARLE & CO. (US) | 1995-08-15 | — | — | US | disclosed |
| WO-1993012103-A1 | PHENYL AMIDINES LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1993-06-24 | — | — | WO | disclosed |