Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA3 | P07451 | 2/20 | 0.65 |
| ▸ | CA4 | P22748 | 2/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 7/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | BAX | Q07812 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL909124 | 0.97 | CA12 (0.69) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL909574 | 0.94 | CA12 (0.65) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27825487 | 0.94 | CA12 (0.73) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL29035650 | 0.91 | CA12 (0.69) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28298656 | 0.86 | CA12 (0.61) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28608771 | 0.86 | CA12 (0.61) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL1513520 | 0.84 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL815301 | 0.84 | — | — | |
| Phenol SCHEMBL1513522 | 0.84 | CA12 (0.92) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL8827872 | 0.84 | CA12 (0.92) | CA12CA2CA9CA14CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874234-A | Tricyclic compound serving as KRAS G12C inhibitor and application thereof | 江苏先声药业有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-112574199-B | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-112574199-A | Heterocyclic compounds as Kras-G12C inhibitors | 首药控股(北京)股份有限公司 | 2021-03-30 | — | — | CN | disclosed |