Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | ACR | P10323 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31275168 | 0.82 | KIF11 (0.47) | PRSS1ACRKDM4CALDH1A1HSD17B10 | |
| Trifluoromethylbenzene SCHEMBL27669439 | 0.74 | TAS2R14 (0.51) | KITAKR1C3AKR1C2NR1H4SRD5A2 | |
| SCHEMBL28641893 | 0.70 | PRSS1 (0.64) | PRSS1ACRMRGPRX4SRD5A2RXRA | |
| SCHEMBL30591798 | 0.69 | SRD5A2 (0.51) | SRD5A2 | |
| SCHEMBL27051811 | 0.68 | MEN1 (0.49) | PRSS1ACRPPARDMRGPRX4SRD5A2 | |
| SCHEMBL710431 | 0.68 | TAS2R14 (0.59) | MRGPRX4RXRARXRBKDM4EUSP2 | |
| SCHEMBL6357517 | 0.68 | KMT2A (0.52) | SRD5A2KDM4EHSD17B10 | |
| SCHEMBL69633 | 0.68 | TSHR (0.53) | NR1H4RXRARXRBKDM4EALDH1A1 | |
| SCHEMBL10710630 | 0.67 | LMNA (0.51) | PRSS1ACRKDM4EALDH1A1CYP2C19 | |
| SCHEMBL29111812 | 0.67 | KMT2A (0.46) | KDM4EALDH1A1HPGDHSD17B10 |
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-107001332-A | New piperidine derivative | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | disclosed |