Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | TYR | P14679 | 1/20 | 0.67 |
| ▸ | DRD1 | P21728 | 1/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 6/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.57 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.57 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2130368 | 0.91 | CA2 (0.73) | CA12CA1CA2CA3TYR | |
| SCHEMBL502598 | 0.89 | SRD5A2 (0.71) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5482345 | 0.89 | SRD5A2 (0.71) | CA12CA1CA2CA9CA14 | |
| Paraben SCHEMBL9244762 | 0.88 | CA12 (0.67) | CA12CA1CA2CA3TYR | |
| Ammonia Solution, Strong SCHEMBL28313730 | 0.87 | SRD5A2 (0.69) | CA12CA1CA2CA9CA14 | |
| Paraben SCHEMBL27820033 | 0.86 | CA12 (0.64) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL5683850 | 0.85 | RAB9A (0.56) | CA12CA1CA2CA3TYR | |
| Benzoic Acid SCHEMBL7064148 | 0.85 | SRD5A2 (0.71) | CA12CA1CA2CA9CA14 | |
| Paraben SCHEMBL16872734 | 0.84 | CA12 (0.84) | CA12CA1CA2CA3TYR | |
| Paraben SCHEMBL10457334 | 0.84 | CA12 (0.84) | CA12CA1CA2CA3TYR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1099690-A1 | MONOCYCLIC $g(b)-LACTAM COMPOUNDS AND CHYMASE INHIBITORS CONTAINING THE SAME | SHIONOGI & CO., LTD. (JP) | 2001-05-16 | — | — | EP | disclosed |