Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL6679124 | 0.85 | NR1H4 (0.44) | HTTALDH1A1SMN1; SMN2SIGMAR1KMT2A | |
| SCHEMBL6678219 | 0.81 | SIGMAR1 (0.41) | OPRM1OPRD1OPRK1SIGMAR1 | |
| SCHEMBL6688953 | 0.78 | GLS (0.41) | SIGMAR1 | |
| SCHEMBL6676118 | 0.76 | CA2 (0.47) | KMT2AKDM4ETDP1CA1CA2 | |
| SCHEMBL6680549 | 0.74 | HDAC8 (0.40) | CYP2C19CYP3A4HTTALDH1A1SMN1; SMN2 | |
| SCHEMBL6685809 | 0.74 | KMT2A (0.41) | CYP2D6CYP2C19CYP3A4CYP2C9HTT | |
| SCHEMBL6681847 | 0.73 | HDAC1 (0.33) | SIGMAR1ATMCA1 | |
| SCHEMBL6679083 | 0.73 | HDAC1 (0.47) | — | |
| SCHEMBL6680479 | 0.73 | CYP2C9 (0.39) | CYP2C9HTTOPRK1MEN1KMT2A | |
| SCHEMBL6681041 | 0.72 | CYP2C9 (0.36) | CYP2C9ALDH1A1MEN1KMT2AKDM4E |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |