Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 14/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL16971794 | 0.79 | NOTUM (0.45) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16971397 | 0.79 | NOTUM (0.45) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16971838 | 0.71 | NOTUM (0.42) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16983108 | 0.69 | NOTUM (0.58) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL17661844 | 0.69 | NOTUM (0.54) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL2246548 | 0.69 | NOTUM (0.72) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| Trifluoroacetic Acid SCHEMBL16971813 | 0.67 | NOTUM (0.39) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL16972012 | 0.67 | NOTUM (0.39) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL18444621 | 0.66 | NOTUM (0.54) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 | |
| SCHEMBL19412829 | 0.66 | NOTUM (0.54) | NOTUMCYP1A2CYP2C9CHRNB2CYP2B6 |
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 5 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 |
| US-9777001-B2 | Macrocycles with aromatic P2′ groups as factor xia inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-03 | — | — | US | disclosed |
| US-20170096429-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-06 | — | — | US | disclosed |
| EP-3099686-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015116885-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170096429-A1 | MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS | TFPI, TFPI2, F2 | NOTUM 4031/4885CYP1A2 960/4885CYP2C9 709/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.