Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11729893 | 0.89 | CA1 (0.44) | ALOX5CA1CA2CA4CA7 | |
| Water SCHEMBL11728807 | 0.88 | CA1 (0.43) | ALOX5CA1CA2CA4CA7 | |
| Water SCHEMBL11728800 | 0.88 | CA1 (0.43) | ALOX5CA1CA2CA4CA7 | |
| SCHEMBL11730758 | 0.86 | TDP1 (0.45) | ALDH1A1MAPK1KMT2ATDP1ALOX5 | |
| SCHEMBL11728426 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MAPK1KMT2ATDP1 | |
| SCHEMBL11725477 | 0.81 | MAPK1 (0.46) | ALDH1A1MAPK1KMT2ATDP1ALOX5 | |
| SCHEMBL11728847 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPK1KMT2ATDP1ALOX5 | |
| SCHEMBL11728728 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPK1KMT2ATDP1ALOX5 | |
| SCHEMBL11726349 | 0.80 | TDP1 (0.43) | ALDH1A1MAPK1KMT2ATDP1ALOX5 | |
| SCHEMBL11728722 | 0.80 | TBXAS1 (0.42) | ALDH1A1MAPK1KMT2ATDP1ALOX5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |