Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | CD38 | P28907 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | PDE1A | P54750 | 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 | |
|---|---|---|---|---|
| SCHEMBL25968367 | 0.86 | ALDH1A1 (0.39) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL15666220 | 0.75 | ALDH1A1 (0.46) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL25340554 | 0.73 | LMNA (0.38) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL13267231 | 0.70 | ALDH1A1 (0.46) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL25341195 | 0.69 | RXRA (0.42) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL31103919 | 0.68 | ALDH1A1 (0.40) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL25342107 | 0.68 | ALDH1A1 (0.40) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL31104171 | 0.68 | ALDH1A1 (0.40) | CYP4F2CYP4A11ALDH1A1LMNAPOLB | |
| SCHEMBL25968360 | 0.68 | EGLN2 (0.40) | ALDH1A1LMNAMEN1KMT2AEGLN2 | |
| SCHEMBL16132481 | 0.67 | CYP4F2 (0.49) | CYP4F2CYP4A11ALDH1A1LMNAPOLB |
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 |