Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM7 | Q14831 | 2/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | KLK1 | P06870 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16971384 | 0.81 | NOTUM (0.38) | F11LRRK2 | |
| SCHEMBL16972351 | 0.81 | F11 (0.41) | F11 | |
| SCHEMBL16971478 | 0.80 | KMT2A (0.43) | F11KLK1ALDH1A1KMT2A | |
| SCHEMBL18316524 | 0.79 | F11 (0.37) | F11 | |
| SCHEMBL16971407 | 0.79 | F11 (0.35) | GRM7F11 | |
| SCHEMBL16971663 | 0.77 | NOTUM (0.40) | GRM7F11 | |
| SCHEMBL25464176 | 0.76 | F11 (0.34) | GRM7F11 | |
| SCHEMBL18710672 | 0.76 | NR1I2 (0.39) | F11 | |
| SCHEMBL16974699 | 0.76 | F11 (0.36) | F11 | |
| SCHEMBL16971318 | 0.76 | F11 (0.35) | F11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3099686-B1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-03-11 | — | — | EP | disclosed |
| EP-3392249-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-10-24 | — | — | EP | disclosed |