Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30339940 | 0.85 | FFAR1 (0.49) | FFAR1FFAR4CA2KCNH2 | |
| SCHEMBL5317530 | 0.85 | FFAR1 (0.49) | FFAR1FFAR4CA2KCNH2 | |
| SCHEMBL4242913 | 0.85 | MPO (0.43) | MPOHSD11B1FFAR1FFAR4CA12 | |
| SCHEMBL27792318 | 0.81 | MPO (0.41) | MPOHSD11B1FFAR1FFAR4KIF11 | |
| SCHEMBL27522309 | 0.81 | MPO (0.41) | MPOHSD11B1FFAR1FFAR4KIF11 | |
| SCHEMBL2695236 | 0.81 | MEN1 (0.43) | MPOHSD11B1FFAR1FFAR4SLC6A4 | |
| SCHEMBL3463180 | 0.79 | CA12 (0.35) | FFAR1CA12CA2CA3CA6 | |
| SCHEMBL31432219 | 0.78 | ALDH1A1 (0.37) | MPOFFAR1CA12CA2CA3 | |
| SCHEMBL20482939 | 0.78 | MEN1 (0.39) | FFAR1CA12CA2CA3CA6 | |
| SCHEMBL19437236 | 0.77 | MPO (0.43) | MPOHSD11B1FFAR1FFAR4KIF11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |