Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547141 | 0.89 | CA12 (0.47) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11548360 | 0.77 | CA12 (0.46) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL4128407 | 0.76 | CA12 (0.51) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11547027 | 0.75 | LTA4H (0.36) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL6211594 | 0.75 | MAPT (0.53) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL13153523 | 0.74 | CA12 (0.53) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL9895432 | 0.74 | CA12 (0.53) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL7557438 | 0.74 | L3MBTL1 (0.46) | LMNAMAPTHTTHPGDRAB9A | |
| SCHEMBL8624912 | 0.74 | CYP3A4 (0.45) | LMNACYP1A2CYP3A4MMP1MMP3 | |
| SCHEMBL28281317 | 0.74 | LMNA (0.51) | CA12CA1CA2ESR1CA7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4175203-A | TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS | MERCK & CO., INC. (US) | 1979-11-20 | — | — | US | disclosed |
| US-4175203-A | TREATMENT OF RENAL FAILURE AND TRANSPLANT REJECTION VASODILATORS | MERCK & CO., INC. (US) | 1979-11-20 | — | — | US | disclosed |
| US-4150235-A | ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4150235-A | ANTIBODY INHIBITORS, HYPOTENSIVE AGENTS, DIURETICS, VASODILATOR | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4140861-A | RENAL DISFUNCTION, ANTIBODY INHIBITORS | MERCK & CO., INC. (US) | 1979-02-20 | — | — | US | disclosed |
| US-4140861-A | RENAL DISFUNCTION, ANTIBODY INHIBITORS | MERCK & CO., INC. (US) | 1979-02-20 | — | — | US | disclosed |