Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305531 | 0.83 | CA9 (0.36) | CA9TLR8CA12CA1CA2 | |
| SCHEMBL28874380 | 0.74 | ESR1 (0.34) | TP53ESR1ESR2MAPT | |
| SCHEMBL9304950 | 0.72 | CA9 (0.32) | CA9CA12CA1CA2CA6 | |
| SCHEMBL15702514 | 0.72 | HPGD (0.44) | TLR8TP53HPGDCSNK2A1KDM4E | |
| SCHEMBL9305945 | 0.71 | HPSE (0.36) | TLR8MCHR1HPGDEGFRHPSE | |
| SCHEMBL9306389 | 0.71 | STING1 (0.37) | TLR8TP53MCHR1HPGDEGFR | |
| SCHEMBL9304957 | 0.71 | CA9 (0.35) | CA9CA12CA1CA2CA6 | |
| SCHEMBL11443102 | 0.70 | NQO2 (0.42) | CA9CA12CA1CA7KDM4E | |
| SCHEMBL29878262 | 0.70 | NQO2 (0.42) | CA9CA12CA1CA7KDM4E | |
| SCHEMBL9305949 | 0.69 | HPSE (0.36) | TLR8MCHR1HPGDEGFRHPSE |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |