Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F9 | P00740 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 2/20 | 0.31 |
| ▸ | CSF1R | P07333 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1690350 | 0.83 | F9 (0.43) | F9EPHX2IDO1MAPK14NPC1 | |
| SCHEMBL6090589 | 0.83 | F9 (0.36) | F9EPHX2IDO1MAPK14LTB4R | |
| SCHEMBL18302280 | 0.77 | EPHX2 (0.56) | EPHX2KDR | |
| SCHEMBL13893639 | 0.75 | NPC1 (0.38) | F9EPHX2IDO1ESR1ESR2 | |
| SCHEMBL12012754 | 0.73 | NOS3 (0.39) | F9IDO1MAPK14LCKCSF1R | |
| SCHEMBL21929348 | 0.71 | KDM4E (0.47) | F9EPHX2IDO1MAPK14ESR1 | |
| SCHEMBL6088948 | 0.71 | PIKFYVE (0.37) | F9EPHX2IDO1ESR1ESR2 | |
| SCHEMBL8233882 | 0.71 | F9 (0.47) | F9IDO1MAPK14ESR1ESR2 | |
| SCHEMBL12025165 | 0.70 | ALDH1A1 (0.43) | F9EPHX2IDO1NPC1LMNA | |
| SCHEMBL15922141 | 0.70 | F9 (0.43) | F9IDO1MAPK14ESR1ESR2 |
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-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |