Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644728 | 0.84 | CCR4 (0.45) | ADORA2ACCR4NPC1RAB9ATDO2 | |
| SCHEMBL696285 | 0.83 | ACHE (0.56) | ADORA2ATDO2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL29007287 | 0.81 | SYK (0.48) | CCR4NPC1RAB9ATDO2SMN1; SMN2 | |
| SCHEMBL509835 | 0.80 | ADORA2A (0.52) | ADORA2ANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30008462 | 0.77 | BTK (0.52) | ADORA2ACCR4NPC1RAB9ATDO2 | |
| SCHEMBL1370441 | 0.74 | HTR3A (0.46) | CCR4ALDH1A1KDM4EHTR3ALMNA | |
| SCHEMBL2700109 | 0.74 | GPR84 (0.55) | CCR4NPC1RAB9ASMN1; SMN2GPR84 | |
| SCHEMBL509133 | 0.74 | ACACA (0.58) | ADORA2ANPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL1716034 | 0.73 | NPC1 (0.63) | CCR4NPC1RAB9ATDO2TNF | |
| SCHEMBL7978412 | 0.73 | ALDH1A1 (0.57) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | FINK CYNTHIA A | 2007-03-15 | — | — | 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-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | BRAF, RAF1, NRAS | ADORA2A 4478/4885CCR4 3261/4885NPC1 1468/4885 |
“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.