Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | PGK2 | P07205 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3878684 | 0.81 | TSHR (0.60) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL7586287 | 0.78 | TSHR (0.63) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL26185691 | 0.75 | TSHR (0.65) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL11707429 | 0.74 | TSHR (0.63) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL3871055 | 0.73 | TSHR (0.62) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL29139009 | 0.73 | TSHR (0.62) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL18243308 | 0.73 | PGK1 (0.38) | TSHRPGK1PGK2 | |
| SCHEMBL18242549 | 0.73 | PGK1 (0.42) | TSHRPGK1PGK2 | |
| SCHEMBL125470 | 0.71 | TSHR (0.74) | TSHRMAPK1CYP3A4CASP1RECQL | |
| SCHEMBL125232 | 0.71 | TSHR (0.60) | TSHRMAPK1CYP3A4CASP1RECQL |
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-6048869-A | REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| US-4064239-A | LIVER FLUKES | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | disclosed |