Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SAT1 | P21673 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL445534 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL22575457 | 0.83 | — | — | |
| SCHEMBL8938901 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL22771845 | 0.79 | — | — | |
| SCHEMBL18455138 | 0.77 | TSHR (0.40) | CYP2C19CYP1A2TSHRCYP2C9HSD17B10 | |
| SCHEMBL12912097 | 0.77 | — | — | |
| SCHEMBL943336 | 0.76 | — | — | |
| SCHEMBL8051029 | 0.76 | TSHR (0.43) | CYP2C19CYP1A2TSHRCYP2C9HSD17B10 | |
| SCHEMBL10079023 | 0.76 | — | — | |
| SCHEMBL9043968 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |