Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R38 | P59533 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 4-Chloro-Benzoic Acid SCHEMBL9317547 | 0.97 | TAS2R38 (0.56) | TAS2R38CA1CA2CYP19A1RAB9A | |
| 4-Chloro-Benzoic Acid SCHEMBL9317100 | 0.85 | CA2 (0.53) | CA1CA2RAB9ANPC1ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9317543 | 0.85 | TAS2R38 (0.59) | TAS2R38CYP19A1RAB9ANPC1ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9316888 | 0.85 | TAS2R38 (0.59) | TAS2R38CYP19A1RAB9ANPC1ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9470023 | 0.85 | ALDH1A1 (0.58) | TAS2R38CA1CA2RAB9ANPC1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9317412 | 0.82 | CA2 (0.53) | CA1CA2RAB9ANPC1ALDH1A1 | |
| SCHEMBL10189868 | 0.75 | EPHX1 (0.60) | TAS2R38RAB9ANPC1ALDH1A1EPHX1 | |
| SCHEMBL340780 | 0.75 | TAS2R38 (1.00) | TAS2R38RAB9ANPC1ALDH1A1EPHX1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9316882 | 0.75 | CA2 (0.95) | CA1CA2 | |
| Benzoic Acid SCHEMBL9317253 | 0.74 | NPC1 (0.56) | TAS2R38CA2RAB9ANPC1ALDH1A1 |
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-5354514-A | Heating mixture of thioamide compound and copper- or lead-containing compound | JUJO PAPER CO., LTD. (JP) | 1994-10-11 | — | — | US | disclosed |