Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4978711 | 0.82 | RAB9A (0.43) | ALDH1A1NAMPTCA2CA1CA5A | |
| SCHEMBL635599 | 0.81 | MAOA (0.50) | CA2CA1CA5ACA7 | |
| SCHEMBL4980605 | 0.80 | CHRNA7 (0.43) | CYP3A4CYP2C9CYP1A2CYP2D6CA2 | |
| SCHEMBL4978909 | 0.78 | CA1 (0.39) | LOXL2CA2CA1CA7 | |
| SCHEMBL4236463 | 0.74 | MAOA (0.47) | CA2CA1CA5ACA7 | |
| SCHEMBL4977469 | 0.74 | CA1 (0.47) | ALDH1A1CA2CA1CA5ACA7 | |
| SCHEMBL4980808 | 0.70 | HRH1 (0.42) | CA2CA1CA5ACA7CA5B | |
| SCHEMBL988036 | 0.67 | CA2 (0.60) | CYP3A4CYP2C9CYP1A2LOXL2CYP2D6 | |
| SCHEMBL4981185 | 0.67 | CYP2C19 (0.40) | CYP3A4CYP2C9CYP1A2TSHRCYP2D6 | |
| SCHEMBL4960187 | 0.67 | CYP17A1 (0.41) | CYP3A4CYP2C9CYP1A2TSHRKCNQ2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505945-B1 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-11-05 | — | — | EP | disclosed |
| EP-1505945-A4 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-22 | — | — | EP | disclosed |
| US-6878722-B2 | Substituted cycloalkyl P1′ hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-12 | — | — | US | disclosed |
| EP-1505945-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2005-02-16 | — | — | EP | disclosed |
| WO-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| US-20040077551-A1 | Substituted cycloalkyl P1' hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-04-22 | — | — | 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-20040077551-A1 | Substituted cycloalkyl P1' hepatitis C virus inhibitors | HAVCR2, ANPEP, ENPEP | CYP3A4 2730/4885CYP2C9 3923/4885CYP1A2 3833/4885 |
“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.