Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FABP6 | P51161 | 1/20 | 0.31 |
| ▸ | PER2 | O15055 | 1/20 | 0.30 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.30 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737885 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2C19HTTFABP6PER2 | |
| SCHEMBL9737588 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP2C19HTT | |
| SCHEMBL9736889 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL9736855 | 0.74 | — | — | |
| SCHEMBL9738321 | 0.72 | TSHR (0.36) | CYP3A4CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL9736694 | 0.69 | GAA (0.34) | CYP3A4CYP2C19HTTMEN1KMT2A | |
| SCHEMBL28711319 | 0.65 | ALDH1A1 (0.44) | CYP3A4CYP2C19HTTL3MBTL1MEN1 | |
| SCHEMBL5346537 | 0.64 | CYP3A4 (0.34) | CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL5338740 | 0.63 | CYP3A4 (0.34) | CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL26024263 | 0.63 | S1PR1 (0.46) | CYP3A4CYP2C19HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0251164-B1 | NEW CHIRAL PHOSPHINOPYRROLIDINE COMPOUNDS AND THEIR USE FOR ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | Achiwa, Kazuo (JP) | 1992-12-16 | — | — | EP | disclosed |
| US-4879389-A | HYDROGENATION CATALYSTS | ACHIWA KAZUO (JP) | 1989-11-07 | — | — | US | disclosed |
| EP-0251164-A2 | New chiral phosphinopyrrolidine compounds and their use for asymetric synthesis of optically active compounds | Achiwa, Kazuo (JP) | 1988-01-07 | — | — | EP | disclosed |