Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 3/20 | 0.65 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 7/20 | 0.52 |
| ▸ | MMP2 | P08253 | 8/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MMP7 | P09237 | 2/20 | 0.48 |
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.48 |
| ▸ | MMP14 | P50281 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10779164 | 1.00 | CA2 (0.65) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL10779173 | 1.00 | CA2 (0.65) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL7325853 | 0.91 | CA2 (0.67) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL10779597 | 0.88 | ALDH1A1 (0.62) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL18328186 | 0.83 | CA2 (0.73) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL21808621 | 0.83 | CA2 (0.73) | CA2CA7PIN1CA9CA1 | |
| SCHEMBL10779543 | 0.81 | CA2 (0.63) | CA2CA7CA9CA1CA4 | |
| SCHEMBL10779555 | 0.81 | CA2 (0.63) | CA2CA7CA9CA1CA4 | |
| SCHEMBL10779550 | 0.81 | CA2 (0.63) | CA2CA7CA9CA1CA4 | |
| SCHEMBL18321207 | 0.80 | CA2 (0.73) | CA2CA7PIN1CA9CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4716155-A | INHIBITORS OF ANGIOTENSIN-CONVERTING ENZYME | E. R. SQUIBB & SONS, INC. (US) | 1987-12-29 | — | — | US | disclosed |
| EP-0083172-B1 | PHOSPHORUS CONTAINING COMPOUNDS | E.R. Squibb & Sons, Inc. (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4555506-A | Phosphorus containing compounds and use as hypotensives | E. R. SQUIBB & SONS, INC. (US) | 1985-11-26 | — | — | US | disclosed |
| EP-0083172-A2 | Phosphorus containing compounds | E.R. Squibb & Sons, Inc. (US) | 1983-07-06 | — | — | EP | disclosed |