Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 5/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034052 | 0.79 | PLG (0.53) | CYP2A6PLGACVR1IKBKBCHUK | |
| SCHEMBL9826371 | 0.75 | CYP2A6 (0.47) | CYP2A6PLGACVR1IKBKBCHUK | |
| SCHEMBL13638210 | 0.71 | IKBKB (0.47) | IKBKBCHUK | |
| SCHEMBL16189301 | 0.70 | CYP2A6 (0.46) | CYP2A6PLGALDH1A1MAPTKDM4E | |
| SCHEMBL16189411 | 0.69 | PIK3CA (0.42) | CYP2A6PLGACVR1ALDH1A1MAPT | |
| SCHEMBL12266516 | 0.67 | CYP2A6 (0.56) | CYP2A6PDE3BPDE3AALDH1A1MAPT | |
| SCHEMBL8404538 | 0.67 | CYP2A6 (0.59) | CYP2A6PDE3BPDE3AALDH1A1MAPT | |
| SCHEMBL13959868 | 0.66 | BRD4 (0.37) | ACVR1ALDH1A1MAPTKDM4ETDO2 | |
| SCHEMBL29324720 | 0.66 | CYP2A6 (0.58) | CYP2A6CYP3A4 | |
| SCHEMBL12202479 | 0.65 | CYP2A6 (0.41) | CYP2A6PLGACVR1IKBKBCHUK |
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-20090291949-A1 | SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS | GLAXO GROUP LIMITED (GB) | 2009-11-26 | — | — | 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-20090291949-A1 | SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS | HRH4, NR1H2, NR1H3 | CYP2A6 759/4885PLG 4454/4885NR1H2 2/4885 |
“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.