Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 7/20 | 0.44 |
| ▸ | F10 | P00742 | 3/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL7372915 | 0.84 | F2 (0.56) | F2F10GPBAR1CNR2CNR1 | |
| SCHEMBL7379417 | 0.84 | F2 (0.48) | TSHRMAPK1RECQLF2GPBAR1 | |
| SCHEMBL7373230 | 0.83 | F2 (0.47) | TSHRMAPK1RECQLF2GPBAR1 | |
| SCHEMBL7374615 | 0.82 | F2 (0.62) | F2F10 | |
| SCHEMBL7377776 | 0.81 | F2 (0.48) | TSHRMAPK1RECQLF2F10 | |
| SCHEMBL6921255 | 0.81 | F2 (0.69) | F2F10ALDH1A1 | |
| SCHEMBL7380524 | 0.79 | F2 (0.53) | TSHRMAPK1RECQLF2F10 | |
| SCHEMBL7378295 | 0.74 | F2 (0.62) | F2F10GPBAR1 | |
| SCHEMBL7452387 | 0.73 | F2 (0.52) | F2F10GPBAR1ALDH1A1 | |
| SCHEMBL6921253 | 0.72 | F2 (0.36) | F2F10SMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002050056-A1 | BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-06-27 | — | — | WO | disclosed |