Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 8/20 | 0.42 |
| ▸ | F10 | P00742 | 3/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 6/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7452387 | 0.88 | F2 (0.52) | ALDH1A1F2F10PRSS1PRSS2 | |
| SCHEMBL7380524 | 0.88 | F2 (0.53) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL7376773 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL7371988 | 0.86 | F2 (0.47) | ALDH1A1F2F10PRSS1PRSS2 | |
| SCHEMBL7374631 | 0.85 | F2 (0.51) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL7378516 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL7381541 | 0.84 | F2 (0.49) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL6925082 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRMAPK1RECQLF2 | |
| SCHEMBL7379829 | 0.84 | F2 (0.48) | TSHRMAPK1RECQLF2F10 | |
| SCHEMBL6923372 | 0.84 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPK1RECQLF2 |
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 |