Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11546789 | 0.90 | LTA4H (0.40) | RAB9ASMN1; SMN2ESR1CA12CA1 | |
| SCHEMBL11545433 | 0.89 | THRA (0.40) | RAB9ACYP1A2RECQLLTA4HTDP1 | |
| SCHEMBL11547632 | 0.85 | RAB9A (0.39) | RAB9ASMN1; SMN2ESR1CA12CA1 | |
| SCHEMBL11547952 | 0.85 | RAB9A (0.39) | RAB9ASMN1; SMN2ESR1CA12CA1 | |
| SCHEMBL11545304 | 0.82 | RAB9A (0.37) | RAB9ASMN1; SMN2ESR1CA12CA1 | |
| SCHEMBL11549395 | 0.82 | TBXAS1 (0.33) | TBXAS1SMN1; SMN2ESR1CA12CA1 | |
| SCHEMBL11546303 | 0.81 | CA12 (0.37) | RAB9ASMN1; SMN2ALDH1A1ESR1CA12 | |
| SCHEMBL11546225 | 0.80 | RAB9A (0.37) | RAB9ASMN1; SMN2ALDH1A1ESR1CA12 | |
| SCHEMBL11548118 | 0.78 | RARB (0.51) | ALDH1A1CYP1A2MMP12RECQLLTA4H | |
| SCHEMBL11545864 | 0.76 | RARB (0.46) | ALDH1A1 |
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-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-4140861-A | RENAL DISFUNCTION, ANTIBODY INHIBITORS | MERCK & CO., INC. (US) | 1979-02-20 | — | — | US | disclosed |