Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | RARG | P13631 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4542515 | 0.88 | TP53 (0.48) | NPC1RAB9AHPGDMAPTSMN1; SMN2 | |
| SCHEMBL1965326 | 0.78 | CA1 (0.73) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL16351874 | 0.78 | CA1 (0.73) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL2003093 | 0.77 | MAPT (0.55) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL5556244 | 0.77 | CA12 (0.66) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL25223481 | 0.77 | CA12 (0.49) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL2998358 | 0.76 | CA12 (0.56) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL25136377 | 0.76 | CYP1A2 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL87450 | 0.76 | CA1 (0.83) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL2796792 | 0.76 | CA12 (0.59) | ESR1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4021438-A | Novel process for the preparation of thiazoles | MERCK & CO., INC. (US) | 1977-05-03 | — | — | US | disclosed |