Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29083588 | 0.87 | GABRA1 (0.37) | PDCD1CD274GABRA1GABRG2GABRB3 | |
| SCHEMBL29126122 | 0.85 | ESR1 (0.35) | ESR1ESR2CYP3A4TDP1 | |
| SCHEMBL29083603 | 0.76 | GCGR (0.41) | PDCD1CD274TSHRESR1ESR2 | |
| SCHEMBL19393368 | 0.74 | ACHE (0.38) | TSHRCYP3A4TDP1 | |
| SCHEMBL1582351 | 0.71 | MEN1 (0.39) | TSHRCYP3A4TDP1 | |
| SCHEMBL6678983 | 0.69 | TAAR1 (0.43) | TSHRCYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL28407256 | 0.69 | MEN1 (0.38) | TSHRCYP3A4TDP1 | |
| Water SCHEMBL27748223 | 0.69 | MEN1 (0.38) | TSHRCYP3A4TDP1 | |
| Toluene SCHEMBL1245841 | 0.69 | LMNA (0.52) | PDCD1CD274TSHRGABRA1GABRG2 | |
| SCHEMBL4175469 | 0.68 | KDM4E (0.33) | GABRA1GABRG2GABRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116813451-A | Substituted benzyl alcohol compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116813666-A | Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | disclosed |