Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14754293 | 0.88 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14754195 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9286142 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9284226 | 0.85 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL14754196 | 0.84 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914929 | 0.83 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL15273565 | 0.82 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9914932 | 0.82 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL18588629 | 0.81 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL16135245 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2C8CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835454-B2 | Fused bicyclic diamine derivatives as HIV attachment inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-20130225635-A1 | FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2013-08-29 | — | — | US | disclosed |
| WO-2013033061-A1 | FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-07 | — | — | 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-20130225635-A1 | FUSED BICYCLIC DIAMINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS | CD4, GDI1, GDI2 | CYP3A4 398/4885CYP1A2 1126/4885CYP2C8 786/4885 |
“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.