Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | RECQL | P46063 | 1/20 | 0.64 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 2/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL22147 | 0.98 | CYP3A4 (0.73) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL393605 | 0.96 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL27842426 | 0.96 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL8405958 | 0.96 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL509572 | 0.96 | CYP3A4 (0.71) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL23573648 | 0.92 | CYP3A4 (0.65) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL28791435 | 0.88 | CYP3A4 (0.60) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL27973887 | 0.87 | CYP2C9 (0.58) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL28791434 | 0.87 | CYP3A4 (0.58) | CYP3A4CYP2C9RECQLAKR1C3ALDH1A1 | |
| SCHEMBL27973886 | 0.87 | CYP2C9 (0.58) | CYP3A4CYP2C9RECQLALDH1A1SMN1; SMN2 |
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-114713257-B | Heterogeneous catalyst with conjugated polymer loaded with high-concentration monoatomic metal sites and preparation method thereof | 北京工业大学 | 2024-07-05 | — | — | CN | disclosed |
| US-6653509-B2 | Method for the liquid-phase hydrogenation of organic materials | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2003-11-25 | — | — | US | disclosed |
| US-20020132863-A1 | Catalyst, methods of producing it and methods of use | MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHARTEN E.V. | 2002-09-19 | — | — | US | disclosed |