Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29295039 | 0.85 | TSHR (0.38) | CYP3A4TSHRRECQLCYP1A2CYP2C9 | |
| SCHEMBL21323393 | 0.83 | UTS2R (0.43) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL22073753 | 0.81 | ALDH1A1 (0.38) | CYP3A4TSHRRECQLCYP1A2CYP2C9 | |
| SCHEMBL25660805 | 0.80 | CYP3A4 (0.53) | CYP3A4TSHRRECQLCYP1A2CYP2C9 | |
| SCHEMBL14100633 | 0.79 | TDP1 (0.38) | RECQLCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL24928429 | 0.78 | HTT (0.49) | CYP3A4CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL19432185 | 0.77 | TDP1 (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1TP53 | |
| SCHEMBL14201368 | 0.77 | TDP1 (0.36) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29264552 | 0.76 | METAP2 (0.37) | CYP3A4TSHRRECQLALDH1A1TDP1 | |
| SCHEMBL7776231 | 0.75 | ALDH1A1 (0.40) | CYP3A4TSHRRECQLCYP1A2CYP2C9 |
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-2018089199-A1 | OXAZOLE DERIVATIVES FOR USE AS IRAK INHIBITORS AND METHOD FOR THEIR PREPARATION | RIGEL PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |