Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9640177 | 0.99 | PARP1 (0.49) | PARP1CHIAMETAP1KDM4EALDH1A1 | |
| SCHEMBL9639730 | 0.92 | PARP1 (0.48) | PARP1CHIAMETAP1DRD4IDO1 | |
| Fumaric Acid SCHEMBL9755189 | 0.91 | PARP1 (0.48) | PARP1CHIAMETAP1KDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL9639454 | 0.91 | PARP1 (0.48) | PARP1CHIAMETAP1KDM4EALDH1A1 | |
| SCHEMBL9689528 | 0.90 | PARP1 (0.47) | PARP1CHIADRD4 | |
| SCHEMBL9688155 | 0.90 | PARP1 (0.47) | PARP1CHIADRD4 | |
| SCHEMBL9689437 | 0.90 | PARP1 (0.47) | PARP1CHIADRD4 | |
| Hydrochloric Acid SCHEMBL9690356 | 0.89 | PARP1 (0.46) | PARP1CHIADRD4 | |
| Hydrochloric Acid SCHEMBL9690279 | 0.89 | PARP1 (0.46) | PARP1CHIADRD4 | |
| Hydrochloric Acid SCHEMBL9689424 | 0.89 | PARP1 (0.46) | PARP1CHIADRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | claimed |
| EP-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |