Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PPOX | P50336 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | STK10 | O94804 | 1/20 | 0.33 |
| ▸ | SLK | Q9H2G2 | 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 | |
|---|---|---|---|---|
| SCHEMBL31252407 | 0.75 | F11 (0.44) | — | |
| SCHEMBL16115041 | 0.74 | F11 (0.39) | HCAR1ALDH1A1TMPRSS4MEN1KMT2A | |
| SCHEMBL16974663 | 0.74 | KMO (0.43) | JAK2TMPRSS4HSD11B1KMO | |
| SCHEMBL30561145 | 0.73 | PARP1 (0.40) | PARP1ALDH1A1HSD11B1 | |
| SCHEMBL29076917 | 0.73 | PARP1 (0.40) | PARP1ALDH1A1HSD11B1 | |
| SCHEMBL4053934 | 0.72 | HSD11B1 (0.53) | PARP1ALDH1A1MEN1KMT2AHSD11B1 | |
| SCHEMBL17633174 | 0.71 | F11 (0.44) | ALDH1A1TMPRSS4 | |
| SCHEMBL29076911 | 0.70 | F11 (0.39) | PARP1JAK2ALDH1A1MEN1KMT2A | |
| SCHEMBL30561093 | 0.70 | F11 (0.39) | PARP1JAK2ALDH1A1MEN1KMT2A | |
| SCHEMBL29417027 | 0.69 | PARP1 (0.44) | PARP1ALDH1A1PTGESHSD11B1 |
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-2015116885-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |