Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CCR1 | P32246 | 4/20 | 0.38 |
| ▸ | CCR8 | P51685 | 4/20 | 0.38 |
| ▸ | CCR5 | P51681 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.37 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL27251652 | 0.81 | CYP2A6 (0.44) | CYP2A6CCR1CCR8CCR5PDE3B | |
| SCHEMBL17278085 | 0.81 | MAPT (0.45) | CYP2A6PDE3BPDE3AKDM4EL3MBTL1 | |
| SCHEMBL20429172 | 0.78 | CYP2A6 (0.36) | CYP2A6CCR1CCR8CCR5UHRF1 | |
| SCHEMBL1521201 | 0.78 | CYP2A6 (0.50) | CYP2A6PDE3BPDE3AUHRF1KDM4E | |
| SCHEMBL15427882 | 0.78 | CYP3A4 (0.40) | CYP2A6CCR1CCR8CCR5UHRF1 | |
| SCHEMBL8289930 | 0.78 | ROCK1 (0.50) | KDM4EMEN1KMT2AROCK1MAPT | |
| SCHEMBL7514592 | 0.78 | CYP2A6 (0.67) | CYP2A6CCR1CCR8CCR5KDM4E | |
| SCHEMBL26873044 | 0.77 | CYP2A6 (0.64) | CYP2A6CCR1CCR8KDM4ENPC1 | |
| SCHEMBL2757278 | 0.76 | CYP2A6 (0.57) | CYP2A6CCR1CCR8CCR5PDE3B | |
| SCHEMBL8404535 | 0.76 | CYP2A6 (0.57) | CYP2A6CCR1CCR8CCR5UHRF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10344039-B2 | Macrocyclic spirocarbamate derivatives as factor XIa inhibitors, pharmaceutically acceptable compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2019-07-09 | — | — | US | 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-10344039-B2 | Macrocyclic spirocarbamate derivatives as factor XIa inhibitors, pharmaceutically acceptable compositions and their use | SERPINC1, PCSK9, KLKB1 | CYP2A6 1080/4885CCR1 901/4885CCR8 1394/4885 |
“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.