Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL433268 | 0.89 | CYP3A4 (0.59) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL7001026 | 0.86 | CYP3A4 (0.56) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL5497079 | 0.84 | TDP1 (0.56) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL1771365 | 0.83 | CYP3A4 (0.53) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL19753995 | 0.81 | POLB (0.51) | TSHRCYP3A4TDP1ALDH1A1HTT | |
| SCHEMBL27786182 | 0.80 | GAA (0.53) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL1645387 | 0.79 | ALDH1A1 (0.58) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL11622453 | 0.78 | MAPT (0.59) | CYP3A4TDP1ALDH1A1GAAHTT | |
| SCHEMBL29353815 | 0.78 | CYP3A4 (0.69) | TSHRCYP3A4TDP1ALDH1A1GAA | |
| SCHEMBL78293 | 0.78 | CYP3A4 (0.69) | TSHRCYP3A4TDP1ALDH1A1GAA |
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-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |