Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.66 |
| ▸ | CA1 | P00915 | 2/20 | 0.66 |
| ▸ | CA2 | P00918 | 2/20 | 0.66 |
| ▸ | CA7 | P43166 | 2/20 | 0.66 |
| ▸ | CA9 | Q16790 | 2/20 | 0.66 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.50 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GGT1 | P19440 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29547019 | 0.89 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2986261 | 0.89 | CA9 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL383873 | 0.89 | CA12 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14675662 | 0.86 | HTT (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL598460 | 0.84 | CA9 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8204736 | 0.84 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6306089 | 0.82 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| Sulfuric Acid SCHEMBL28827552 | 0.82 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15049648 | 0.82 | ALDH1A1 (0.55) | CA12CA1CA2CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL149926 | 0.80 | CA12 (1.00) | CA12CA1CA2CA7CA9 |
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-4440941-A | Aroyl-aminoacids, amides and esters thereof | USV PHARMACEUTICAL CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |
| US-4347246-A | Antihypertensive lactams | USV PHARMACEUTICAL CORPORATION (US) | 1982-08-31 | — | — | US | disclosed |
| EP-0054936-A1 | Aroyl amino acids | USV PHARMACEUTICAL CORPORATION (US) | 1982-06-30 | — | — | EP | disclosed |