Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.36 |
| ▸ | TUBB | P07437 | 2/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9925917 | 0.81 | CYP3A4 (0.46) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL20486007 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL15692426 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL18708709 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL18672393 | 0.77 | CYP3A4 (0.37) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL9924603 | 0.75 | CYP3A4 (0.41) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL179311 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL18879246 | 0.75 | CYP3A4 (0.38) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL11350936 | 0.74 | CYP3A4 (0.40) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 | |
| SCHEMBL2559369 | 0.74 | CYP3A4 (0.40) | CYP3A4CYP2E1CYP2A6CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822131-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-20170281614-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2017-10-05 | — | — | US | disclosed |
| EP-2571357-B1 | CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION | INFINITY PHARMACEUTICALS INC (US) | 2016-07-06 | — | — | EP | disclosed |
| US-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2012-06-14 | — | — | 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 (2 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-20120149701-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, AKT3, PIK3C2A | CYP3A4 1925/4885CYP2E1 2738/4885CYP2A6 2926/4885 |
| US-20170281614-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | PIK3CA, PIK3CG, PIK3CB | CYP3A4 1611/4885CYP2E1 2138/4885CYP2A6 2476/4885 |
“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.