Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2423178 | 0.85 | NPC1 (0.50) | HTTMAPTALDH1A1HPGDUSP2 | |
| SCHEMBL5842819 | 0.83 | PARP1 (0.47) | CHEK2HTTMAPTPARP1PARP10 | |
| SCHEMBL6610469 | 0.80 | CRHR1 (0.51) | HTTMAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL4882444 | 0.78 | ALDH1A1 (0.45) | HTTMAPTLMNACYP3A4ATM | |
| SCHEMBL8034298 | 0.74 | CRHR1 (0.41) | ALDH1A1CRHR1 | |
| SCHEMBL3874693 | 0.72 | SMN1; SMN2 (0.48) | HTTMAPTCA1CA2ALDH1A1 | |
| SCHEMBL13990752 | 0.71 | SMN1; SMN2 (0.39) | HTTMAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL13990896 | 0.71 | NPC1 (0.47) | HTTMAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL632045 | 0.70 | ALDH1A1 (0.67) | MAPTCYP3A4CYP2C19CA1CA2 | |
| SCHEMBL5842734 | 0.70 | CRHR1 (0.37) | ALDH1A1CRHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1463724-A1 | PYRROLIDONE CARBOXAMIDES | Actelion Pharmaceuticals Ltd. (CH) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003059905-A1 | PYRROLIDONE CARBOXAMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2003-07-24 | — | — | WO | disclosed |