Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | PRKCI | P41743 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4562795 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL15434024 | 0.74 | SMN1; SMN2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRKDM4E | |
| SCHEMBL18072397 | 0.74 | HRH4 (0.52) | CYP1A2CYP3A4CYP2D6TSHRMEN1 | |
| SCHEMBL2711992 | 0.74 | CYP1A2 (0.78) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL19124978 | 0.73 | CETP (0.56) | CYP1A2CYP3A4ALOX15KDM4ECYP2C19 | |
| SCHEMBL5524470 | 0.71 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL2524318 | 0.71 | HTR3A (0.52) | CYP1A2CYP3A4CYP2D6CLK4IRAK4 | |
| SCHEMBL1752949 | 0.71 | NPY5R (0.49) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| Hydrochloric Acid SCHEMBL3269944 | 0.71 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6TSHRCLK4 | |
| SCHEMBL11000231 | 0.70 | PRKCI (0.49) | CYP1A2CYP3A4CYP2D6TSHRCLK4 |
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-106279041-A | Phenyl pyrimidine derivative and its production and use | 四川思睿博生物科技有限公司 | 2017-01-04 | — | — | CN | disclosed |