Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.43 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.43 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 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 | |
|---|---|---|---|---|
| SCHEMBL27906574 | 0.89 | KLKB1 (0.58) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27924676 | 0.86 | HSD17B10 (0.64) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27906573 | 0.84 | HSD17B10 (0.47) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27924543 | 0.83 | HSD17B10 (0.44) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27906558 | 0.80 | PPARG (0.46) | PPARAPTPN1PTPN6AKR1C2AKR1C1 | |
| SCHEMBL19664973 | 0.78 | PYGL (0.51) | HSD17B10CYP3A4CYP2C9CYP2C19PYGL | |
| SCHEMBL28005872 | 0.75 | HSD17B10 (0.68) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28804050 | 0.74 | HIF1A (0.59) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL250884 | 0.73 | HSD17B10 (0.66) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27906560 | 0.73 | KLKB1 (0.58) | HSD17B10CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103086908-A | N-benzylaniline derivatives and application thereof | UNIV NANJING MEDICAL | 2013-05-08 | — | — | CN | claimed |
| CN-103086908-A | N-benzylaniline derivatives and application thereof | UNIV NANJING MEDICAL | 2013-05-08 | — | — | CN | disclosed |