Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL786451 | 0.91 | NPC1 (0.41) | PDE4BADORA3RETCYP1A2ABCB1 | |
| SCHEMBL786645 | 0.89 | ABCG2 (0.47) | PDE4BCYP1A2ABCB1ABCC1ABCG2 | |
| SCHEMBL786879 | 0.86 | ADORA3 (0.40) | PDE4BADORA3CYP1A2TNIK | |
| SCHEMBL802638 | 0.83 | RET (0.52) | PDE4BRETAURKA | |
| SCHEMBL2203524 | 0.82 | HTT (0.46) | PDE4BCYP1A2FABP4RAB9ANPC1 | |
| SCHEMBL27589749 | 0.78 | RXRA (0.38) | PDE4BADORA3CYP1A2RAB9ANPC1 | |
| SCHEMBL786491 | 0.76 | MEN1 (0.58) | ABCB1ABCC1ABCG2RAB9ANPC1 | |
| SCHEMBL5254657 | 0.76 | MAPT (0.35) | PDE4BADORA3CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL786647 | 0.74 | LMNA (0.55) | ABCB1ABCC1ABCG2RAB9ANPC1 | |
| SCHEMBL786224 | 0.74 | ABCG2 (0.64) | ABCB1ABCC1ABCG2RAB9ANPC1 |
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-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-22 | — | — | US | disclosed |
| US-7951820-B2 | Triazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-05-31 | — | — | US | disclosed |
| EP-1317448-B2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2011-05-04 | — | — | EP | disclosed |
| US-20030064982-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-04-03 | — | — | 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-20030064982-A1 | Pyrazole compounds useful as protein kinase inhibitors | MAP3K20, CDK2, MAP2K2 | PDE4B 1895/4885ADORA3 1878/4885RET 219/4885 |
| US-20120071657-A1 | TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | GSK3B, GSK3A, CDK19 | PDE4B 3468/4885ADORA3 406/4885RET 207/4885 |
“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.