Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10667681 | 0.79 | CYP3A4 (0.45) | HTTCYP3A4MAPK1TSHRSMN1; SMN2 | |
| SCHEMBL10570024 | 0.72 | MAOA (0.41) | CYP3A4ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL28040340 | 0.72 | SMN1; SMN2 (0.44) | CYP3A4MAPK1TSHRALDH1A1KDM4E | |
| SCHEMBL28862648 | 0.67 | MAPK1 (0.46) | HTTCYP3A4MAPK1TSHRALDH1A1 | |
| SCHEMBL10350066 | 0.67 | — | — | |
| SCHEMBL9371446 | 0.67 | CYP3A4 (0.56) | HTTCYP3A4MAPK1TSHRALDH1A1 | |
| SCHEMBL10520167 | 0.64 | CYP3A4 (0.52) | HTTCYP3A4MAPK1TSHRALDH1A1 | |
| SCHEMBL8891161 | 0.64 | HTT (0.46) | HTTCYP3A4MAPK1TSHRALDH1A1 | |
| SCHEMBL8563621 | 0.64 | FBP1 (0.58) | HTTCYP3A4MAPK1ALDH1A1KDM4E | |
| SCHEMBL10770449 | 0.63 | MAOA (0.65) | HTTCYP3A4MAPK1TSHRALDH1A1 |
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-105085482-A | Substituted piperazine compound, and usage method and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |