Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304660 | 0.83 | CA9 (0.36) | CA9ENPP1TLR8CA12CA1 | |
| SCHEMBL9304950 | 0.72 | CA9 (0.32) | CA9CA12CA1CA2CA6 | |
| SCHEMBL15702514 | 0.72 | HPGD (0.44) | TLR8CSNK2A1TP53KMT2AMEN1 | |
| SCHEMBL22561680 | 0.72 | NPC1 (0.37) | ALDH1A1CYP1A2SMN1; SMN2HPGDKDM4E | |
| SCHEMBL9304957 | 0.71 | CA9 (0.35) | CA9CA12CA1CA2CA6 | |
| SCHEMBL27038332 | 0.70 | SMN1; SMN2 (0.44) | KMT2AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL11397912 | 0.69 | HPGD (0.42) | TLR8CSNK2A1TP53KMT2AMEN1 | |
| SCHEMBL24313065 | 0.68 | ESR1 (0.37) | ESR1ESR2CYP1A2 | |
| SCHEMBL19914311 | 0.66 | NQO2 (0.39) | S1PR1TP53ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL9306389 | 0.66 | STING1 (0.37) | TLR8TP53SMN1; SMN2HPGDGAA |
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-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |