Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 4/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27561382 | 0.89 | CSNK2A1 (0.46) | ALDH1A1HSD17B10KMT2AMEN1PKM | |
| SCHEMBL27582103 | 0.80 | KDR (0.40) | CYP1A2CYP2D6ALDH1A1KMT2AMEN1 | |
| SCHEMBL27582003 | 0.78 | CYP1A2 (0.38) | CYP1A2CYP2D6ALDH1A1KMT2AMEN1 | |
| SCHEMBL27582110 | 0.78 | KDR (0.35) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL27582045 | 0.75 | LMNA (0.45) | CYP1A2CYP2D6ALDH1A1HSD17B10KMT2A | |
| SCHEMBL27582049 | 0.75 | AKR1C3 (0.53) | AKR1C3AKR1C2 | |
| SCHEMBL27561352 | 0.75 | KDR (0.47) | CYP1A2ALDH1A1KMT2AMEN1 | |
| SCHEMBL27561679 | 0.74 | LRRK2 (0.36) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL27582093 | 0.73 | KDR (0.40) | CYP1A2CYP2D6ALDH1A1KMT2AMEN1 | |
| SCHEMBL2000058 | 0.72 | KMT2A (0.63) | ALDH1A1HSD17B10KMT2AMEN1PKM |
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 |