Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9762469 | 0.78 | CASP3 (0.54) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL19154591 | 0.77 | CASP3 (0.56) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL9762447 | 0.72 | CASP3 (0.48) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL18905558 | 0.72 | HDAC6 (0.36) | ALDH1A1SMN1; SMN2CYP2C19KMT2A | |
| SCHEMBL9762196 | 0.72 | BACE1 (0.45) | ALDH1A1KDM4ESMN1; SMN2CYP2C19TDP1 | |
| SCHEMBL1065287 | 0.72 | CASP3 (0.65) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL3581991 | 0.72 | USP2 (0.62) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL1430310 | 0.72 | CASP3 (0.65) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL29724090 | 0.71 | CASP3 (0.86) | CASP3CA1CA2CA4CA9 | |
| SCHEMBL1142116 | 0.71 | CASP3 (0.86) | CASP3CA1CA2CA4CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5034381-A | Antagonist | CIBA-GEIGY CORPORATION (US) | 1991-07-23 | — | — | US | disclosed |