Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 3/20 | 0.33 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25968369 | 0.86 | CYP4F2 (0.41) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL30268685 | 0.79 | RAB9A (0.44) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL1008524 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL20817906 | 0.76 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL20818806 | 0.76 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL20818486 | 0.75 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL20818257 | 0.75 | MRGPRX1 (0.43) | ALDH1A1LMNAPOLBRXRARXRB | |
| SCHEMBL13267231 | 0.75 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL1365401 | 0.75 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 | |
| SCHEMBL31104515 | 0.75 | ALDH1A1 (0.46) | ALDH1A1LMNAPOLBCYP4F2CYP4A11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023150591-A2 | PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS | D.E. SHAW RESEARCH, LLC (US) | 2023-08-10 | — | — | WO | disclosed |