Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2476440 | 0.89 | ALDH1A1 (0.43) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL29786761 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL27813828 | 0.85 | PRSS1 (0.44) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL8460017 | 0.85 | ALDH1A1 (0.51) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL3416137 | 0.84 | PRSS1 (0.46) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL4298010 | 0.84 | CA12 (0.42) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL29132700 | 0.81 | CA2 (0.45) | ALDH1A1DRD2DRD1DRD4DRD5 | |
| SCHEMBL27640909 | 0.81 | KDM4E (0.39) | ALDH1A1CA2CYP3A4LMNAENPP1 | |
| SCHEMBL20561114 | 0.80 | MCHR1 (0.43) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL23533337 | 0.80 | MCHR1 (0.42) | ALDH1A1CA2CYP3A4LMNASMN1; SMN2 |
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-6326122-B1 | HEAT SENSITIVE ELEMENTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-12-04 | — | — | US | disclosed |