Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 17/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25418982 | 0.89 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL21050879 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL18450256 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL15010536 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL12663535 | 0.83 | ALDH1A1 (0.66) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL11980657 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL16431500 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL25417473 | 0.82 | ALDH1A1 (0.65) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL25419709 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL30351187 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2CYP3A4HSD17B10 |
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-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |