Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 15/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16971397 | 1.00 | NOTUM (0.45) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16972067 | 0.83 | NOTUM (0.42) | NOTUM | |
| SCHEMBL16971838 | 0.83 | NOTUM (0.42) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16971390 | 0.82 | F11 (0.34) | NOTUMKMO | |
| Bromide SCHEMBL16971966 | 0.81 | F11 (0.35) | NOTUMKMO | |
| SCHEMBL16971605 | 0.79 | NOTUM (0.44) | NOTUMKMO | |
| SCHEMBL16974630 | 0.79 | NOTUM (0.48) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| Trifluoroacetic Acid SCHEMBL16971813 | 0.78 | NOTUM (0.39) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16974625 | 0.77 | KMO (0.39) | KMO | |
| SCHEMBL16971676 | 0.77 | NOTUM (0.37) | NOTUM |
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-3099687-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116886-A1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |