Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6816439 | 0.83 | ALDH1A1 (0.50) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL700219 | 0.83 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL29369262 | 0.83 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL17744395 | 0.83 | GPR35 (0.46) | ALDH1A1TDP1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL17744425 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRTDP1GRIN2DGRIN3B | |
| SCHEMBL29474148 | 0.81 | CYP1A2 (0.53) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL19782411 | 0.81 | ALDH1A1 (0.48) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL27185351 | 0.81 | GRIN2D (0.50) | CYP1A2ALDH1A1TSHRTDP1GRIN2D | |
| SCHEMBL23529791 | 0.80 | CYP1A2 (0.59) | CYP1A2ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL29804161 | 0.80 | CYP1A2 (0.59) | CYP1A2ALDH1A1TSHRTDP1MAPK1 |
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-117425649-A | Pyrazole derivatives as KRAS mutein inhibitors | 诺华股份有限公司 | 2024-01-19 | — | — | CN | disclosed |