Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27564358 | 0.84 | PTGS1 (0.43) | PTGS1PTGS2KMT2AMEN1POLB | |
| SCHEMBL27582110 | 0.84 | KDR (0.35) | KMT2AMEN1POLBCYP3A4ALDH1A1 | |
| SCHEMBL27561513 | 0.80 | TTBK1 (0.32) | PTGS1PTGS2EGFR | |
| SCHEMBL27561385 | 0.77 | TDP1 (0.38) | PTGS1PTGS2TSHRCYP3A4ALDH1A1 | |
| SCHEMBL27564357 | 0.77 | ALDH3A1 (0.46) | KMT2AMEN1LMNATSHRALDH1A1 | |
| SCHEMBL27582103 | 0.77 | KDR (0.40) | KMT2AMEN1TSHRCYP1A2CYP3A4 | |
| SCHEMBL27561375 | 0.75 | CA2 (0.42) | PTGS1PTGS2LMNATP53 | |
| SCHEMBL27582035 | 0.74 | P2RY4 (0.40) | PTGS2KMT2AMEN1POLBTSHR | |
| SCHEMBL14850454 | 0.74 | MAPT (0.50) | PTGS1PTGS2KMT2AMEN1POLB | |
| SCHEMBL27561674 | 0.73 | AR (0.36) | KMT2AMEN1LMNATSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1351498-A | Pyrrolotriazines inhibitors of kinases | BRISTOL MYERS SQUIBB CO (US) | 2002-05-29 | — | — | CN | claimed |