Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL20815546 | 0.94 | TSHR (0.47) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL20381899 | 0.90 | TSHR (0.51) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL14716299 | 0.89 | TSHR (0.50) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL94798 | 0.88 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL29240283 | 0.88 | PRSS1 (0.51) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL6383536 | 0.88 | PRSS1 (0.51) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL22504377 | 0.88 | PRSS1 (0.51) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL14716407 | 0.86 | PRSS1 (0.50) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL14716431 | 0.86 | PRSS1 (0.50) | CYP3A4TSHRTDP1ATMCA2 | |
| SCHEMBL3411613 | 0.86 | CYP3A4 (0.66) | CYP3A4TSHRTDP1ATMCA2 |
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-113795963-A | Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries | 斯塞法国公司 | 2021-12-14 | — | — | CN | disclosed |