Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | ATM | Q13315 | 1/20 | 0.70 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5472453 | 0.98 | CYP3A4 (0.72) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL31011352 | 0.86 | TSHR (0.54) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL21811504 | 0.85 | CYP3A4 (0.78) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL2215691 | 0.84 | CYP3A4 (0.77) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL44320 | 0.84 | CYP3A4 (0.89) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL1155390 | 0.84 | CYP3A4 (0.77) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL21811432 | 0.83 | CYP3A4 (0.81) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL2887233 | 0.83 | TSHR (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| Hydrogen Sulfide SCHEMBL7193596 | 0.83 | CYP3A4 (0.70) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL3849332 | 0.82 | CYP3A4 (0.93) | CYP3A4TSHRTDP1ATMRECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-6313342-B1 | Synthesis of esters of mercaptocarboxylic acids | ELF ATOCHEM S.A. (FR) | 2001-11-06 | — | — | US | disclosed |
| US-5773641-A | REACTING A HYDROSULFIDE WITH THE CORRESPONDING HALOCARBOXYLIC ESTER | ELF ATOCHEM S.A. (FR) | 1998-06-30 | — | — | US | disclosed |
| CN-1131149-A | Synthesis of mercapto-carboxylic ester | ATOCHEM ELF SA (FR) | 1996-09-18 | — | — | CN | disclosed |