Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | GRK3 | P35626 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27337618 | 0.84 | LTA4H (0.45) | GRM1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL27523731 | 0.84 | LTA4H (0.45) | GRM1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL28777062 | 0.84 | CES2 (0.35) | KMT2ACYP3A4ALDH1A1CES2CES1 | |
| SCHEMBL27608101 | 0.80 | KCNQ3 (0.45) | KMT2ACYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL13504693 | 0.78 | GRM1 (0.43) | GRM1KMT2ACYP2C9CYP3A4CYP2D6 | |
| SCHEMBL27555390 | 0.76 | BCL2L1 (0.37) | GRM1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL27593338 | 0.73 | TP53 (0.42) | KMT2ACYP2C9CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL27516306 | 0.71 | POLB (0.41) | ALDH1A1MAOAMAOBPARP1HPGD | |
| SCHEMBL27555371 | 0.71 | POLB (0.41) | ALDH1A1MAOAMAOBPARP1HPGD | |
| SCHEMBL27919066 | 0.70 | RAB9A (0.37) | KMT2AALDH1A1TSHRUSP2HPGD |
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-100519552-C | Pyrazole compounds | UBE INDUSTRIES (JP) | 2009-07-29 | — | — | CN | disclosed |
| CN-1684953-A | Pyrazole compounds | UBE INDUSTRIES (JP) | 2005-10-19 | — | — | CN | disclosed |