Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27125297 | 0.77 | EPHX1 (0.52) | EPHX1TDP1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11785562 | 0.76 | EPHX1 (0.50) | EPHX1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6933686 | 0.76 | SIGMAR1 (0.59) | EPHX1CYP3A4CYP2D6CYP2C19TAAR1 | |
| SCHEMBL17045259 | 0.76 | SIGMAR1 (0.59) | EPHX1CYP3A4CYP2D6CYP2C19TAAR1 | |
| SCHEMBL8744961 | 0.76 | TDP1 (0.50) | TDP1CYP3A4SLC6A2 | |
| SCHEMBL903704 | 0.74 | SIGMAR1 (0.63) | TDP1CYP1A2CYP3A4CYP2D6TAAR1 | |
| SCHEMBL10513016 | 0.74 | SIGMAR1 (0.59) | EPHX1TDP1CYP3A4TAAR1SIGMAR1 | |
| SCHEMBL430690 | 0.74 | CYP1A2 (0.43) | EPHX1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11783693 | 0.74 | EPHX1 (0.54) | EPHX1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8837490 | 0.74 | FPR2 (0.56) | EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113512065-A | Chiral secondary phosphorus oxide pre-ligand and application thereof | 浙江工业大学 | 2021-10-19 | — | — | CN | claimed |
| EP-1023267-B1 | PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CERMOL SA (CH) | 2003-09-17 | — | — | EP | claimed |
| CN-113512065-A | Chiral secondary phosphorus oxide pre-ligand and application thereof | 浙江工业大学 | 2021-10-19 | — | — | CN | disclosed |