Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27582093 | 0.92 | KDR (0.40) | TYRCYP3A4MAPTHTTMEN1 | |
| SCHEMBL27582003 | 0.86 | CYP1A2 (0.38) | CYP3A4MAPTMEN1TSHRKMT2A | |
| SCHEMBL27582103 | 0.77 | KDR (0.40) | CYP3A4MAPTMEN1TSHRKMT2A | |
| SCHEMBL27582110 | 0.75 | KDR (0.35) | CYP3A4MAPTMEN1ALOX15KMT2A | |
| SCHEMBL27582045 | 0.72 | LMNA (0.45) | CYP3A4MAPTHTTMEN1ALOX15 | |
| SCHEMBL27561352 | 0.72 | KDR (0.47) | MAPTMEN1TP53KMT2ACYP1A2 | |
| SCHEMBL19987276 | 0.72 | TYR (0.58) | TYRCYP3A4MAPTHTTMEN1 | |
| SCHEMBL19985673 | 0.71 | TYR (0.56) | TYRCYP3A4MAPTHTTMEN1 | |
| SCHEMBL27561517 | 0.71 | RAPGEF4 (0.33) | MEN1KMT2A | |
| SCHEMBL27561679 | 0.71 | LRRK2 (0.36) | MAPTHTTMEN1KMT2AKDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | claimed |
| CN-1351498-B | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO | 2012-08-15 | — | — | CN | disclosed |
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | disclosed |