Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 4/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | MTOR | P42345 | 4/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | HCK | P08631 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4147845 | 0.89 | MAP3K11 (0.48) | NR4A2EGFRPI4K2ABRD4PIK3CD | |
| SCHEMBL729497 | 0.80 | PIK3CA (0.60) | PIK3CDPIK3CAMTORPIK3CBPIK3CG | |
| SCHEMBL4146232 | 0.77 | PIK3CD (0.51) | NR4A2PIK3CDABL1PIK3CBPIK3CG | |
| SCHEMBL4151090 | 0.73 | MAP4K4 (0.60) | NR4A2EGFRBACE1PIK3CDPIK3CA | |
| SCHEMBL29061683 | 0.73 | MAP4K4 (0.60) | NR4A2EGFRBACE1PIK3CDPIK3CA | |
| SCHEMBL14321745 | 0.73 | BACE1 (0.58) | BACE1ADORA2AADORA1BRD4APP | |
| SCHEMBL14827715 | 0.71 | QPCT (0.53) | BRD4APPCHRNB4CHRNA3CHRNA7 | |
| SCHEMBL29725526 | 0.71 | ACVR1 (0.56) | NR4A2PIK3CANCF1 | |
| SCHEMBL30989203 | 0.71 | ADORA2A (0.53) | EGFRBACE1PI4K2AADORA2AADORA1 | |
| SCHEMBL5758549 | 0.70 | NR4A2 (0.56) | NR4A2EGFRPIK3CDPIK3CAMTOR |
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-20090069338-A1 | Method for predicting skin sensitizing activity of compounds | DICKSON JR JOHN K | 2009-03-12 | — | — | US | disclosed |
| US-7452887-B2 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | AMPHORA DISCOVERY CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-20060009460-A1 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | AGRIUS GROUP, LLC. | 2006-01-12 | — | — | 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-20090069338-A1 | Method for predicting skin sensitizing activity of compounds | ATP5ME, ABCG2, ATP5MG | NR4A2 1882/4885EGFR 4447/4885BACE1 905/4885 |
| US-20060009460-A1 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | ATP5ME, ATP5MG, ATP5MK | NR4A2 3517/4885EGFR 4792/4885BACE1 578/4885 |
“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.