Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | SLC22A3 | O75751 | 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 | |
|---|---|---|---|---|
| SCHEMBL10795680 | 0.78 | CA1 (0.38) | CA1CA2CA7CA9ACHE | |
| SCHEMBL196718 | 0.76 | CYP3A4 (0.44) | CA1CA2CA7CA9ACHE | |
| SCHEMBL5713320 | 0.73 | CYP3A4 (0.42) | CA1CA2CA7CA9ACHE | |
| SCHEMBL13499 | 0.73 | — | — | |
| SCHEMBL2153517 | 0.71 | CA1 (0.38) | CA1CA2CA7CA9ACHE | |
| SCHEMBL2886150 | 0.71 | IDO1 (0.39) | CA1CA2CA7CA9ACHE | |
| SCHEMBL10340766 | 0.71 | IDO1 (0.39) | CA1CA2CA7CA9ACHE | |
| Hydrochloric Acid SCHEMBL21724713 | 0.71 | CYP3A4 (0.40) | CA1CA2CA7CA9ACHE | |
| SCHEMBL2539209 | 0.71 | ACHE (0.45) | CA1CA2CA7CA9ACHE | |
| SCHEMBL19968353 | 0.71 | IDO1 (0.39) | CA1CA2CA7CA9ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6331502-B1 | PALLADIUM COMPOUND, ORGANOPHOSPHORUS LIGAND, ACID PROMOTER, PROTON SOURCE; AND HYDROXY- OR CARBOXY-SUBSTITUTED PYRIDINE, PIPERIDINE, QUINOLINE OR ISOQUINOLINE COMPOUND; OXIDATION, ESTERIFICATION; CARBONYLATION OF ALKYNES CATALYSIS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2001-12-18 | — | — | US | disclosed |