Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | KIF5B | P33176 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 5/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7938078 | 0.83 | TRPA1 (0.54) | RETKIF5BTRPA1ATMMT-CO2 | |
| SCHEMBL28044335 | 0.71 | MAPT (0.50) | RETKIF5BTRPA1ATMMAPK8 | |
| SCHEMBL27561547 | 0.71 | RAPGEF4 (0.51) | BRAFKMT2AMAPTGAAMAPK1 | |
| SCHEMBL3228186 | 0.71 | MAPT (0.52) | TRPA1ATMMAPK8LMNAKMT2A | |
| SCHEMBL11451246 | 0.70 | RET (0.41) | RETKIF5BTRPA1ATMMT-CO2 | |
| SCHEMBL27582099 | 0.69 | CA2 (0.50) | — | |
| SCHEMBL11406396 | 0.69 | TRPA1 (0.52) | RETKIF5BTRPA1ATMMAPK8 | |
| SCHEMBL8310698 | 0.69 | TRPA1 (0.52) | RETKIF5BTRPA1ATMMAPK8 | |
| SCHEMBL22663499 | 0.68 | TRPA1 (0.46) | RETKIF5BTRPA1ATMMAPK8 | |
| SCHEMBL27582103 | 0.68 | KDR (0.40) | RETKIF5BRAF1BRAFKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1351498-B | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO | 2012-08-15 | — | — | CN | claimed |
| 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 |