Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | INSR | P06213 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL179003 | 0.85 | TRPV1 (0.59) | HPGDALOX15CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL179000 | 0.84 | POLB (0.52) | MEN1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL28721168 | 0.83 | ALDH1A1 (0.68) | HPGDMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL2601974 | 0.82 | INSR (0.54) | MEN1KMT2AALDH1A1INSRIGF1R | |
| SCHEMBL179008 | 0.82 | INSR (0.54) | MEN1KMT2AALDH1A1INSRIGF1R | |
| SCHEMBL179091 | 0.82 | TRPV1 (0.62) | MEN1KMT2AINSRIGF1RTRPV1 | |
| SCHEMBL3939801 | 0.80 | POLB (0.48) | MEN1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL29548418 | 0.80 | TRPV1 (0.70) | HPGDALOX15CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8230934 | 0.78 | KMT2A (0.50) | HPGDMEN1KMT2AALDH1A1INSR | |
| SCHEMBL13886149 | 0.78 | TRPV1 (0.56) | HPGDALOX15CYP1A2CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109879772-B | Benzylaminoyl derivative and application thereof in preparation of anti-inflammatory drugs | 中国科学院成都生物研究所 | 2022-03-29 | — | — | CN | disclosed |