Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597810 | 1.00 | CYP2C19 (0.54) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL18797319 | 0.85 | CYP2C19 (0.50) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL20721103 | 0.85 | CYP2C19 (0.50) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL17485943 | 0.84 | CES2 (0.56) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL7790426 | 0.84 | CES2 (0.56) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL8532484 | 0.82 | CES2 (0.52) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL28249859 | 0.80 | CYP2C19 (0.52) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL29261427 | 0.79 | CYP2C19 (0.47) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL27725930 | 0.79 | CES2 (0.48) | CYP2C19GAATDP1CYP3A4TSHR | |
| SCHEMBL4454729 | 0.78 | GAA (0.68) | CYP2C19GAATDP1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007009710-A2 | SUBSTITUTED PYRAZOLINE COMPOUNDS: METHODS FOR THEIR PREPARATION | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | claimed |