Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22871678 | 0.97 | CYP2B6 (0.38) | CYP2B6NPC1KMT2A | |
| SCHEMBL23336586 | 0.97 | CYP2B6 (0.38) | CYP2B6NPC1KMT2A | |
| SCHEMBL22570088 | 0.85 | CA2 (0.35) | CYP2B6NPC1 | |
| SCHEMBL18745418 | 0.84 | CYP2B6 (0.34) | CYP2B6NPC1 | |
| SCHEMBL11990045 | 0.84 | CYP2B6 (0.34) | CYP2B6NPC1 | |
| SCHEMBL19134722 | 0.84 | — | — | |
| SCHEMBL24106790 | 0.84 | ALDH1A1 (0.36) | CYP2B6KMT2A | |
| SCHEMBL8604945 | 0.82 | CYP2B6 (0.33) | CYP2B6NPC1 | |
| SCHEMBL21287855 | 0.82 | CHRM2 (0.31) | CYP2B6 | |
| SCHEMBL23896486 | 0.82 | ACHE (0.39) | CYP2B6NPC1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10221178-B2 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | MERCK SHARP & DOHME CORP. (US) | 2019-03-05 | — | — | US | disclosed |
| US-20180141947-A1 | Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | 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-10221178-B2 | Purine inhibitors of human phosphatidylinositol 3-kinase delta | PIK3CD, PIK3CA, PI4KA | CYP2B6 1028/4885NPC1 1941/4885KMT2A 4539/4885 |
| US-20180141947-A1 | Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta | PIK3CD, PIK3CA, PI4KA | CYP2B6 1028/4885NPC1 1941/4885KMT2A 4539/4885 |
“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.