Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3566369 | 0.87 | PDK2 (0.40) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL3566373 | 0.87 | PDK2 (0.40) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL3570805 | 0.86 | NTRK1 (0.32) | PDK2NTRK1NTRK2 | |
| SCHEMBL3570800 | 0.86 | NTRK1 (0.32) | PDK2NTRK1NTRK2 | |
| SCHEMBL3558095 | 0.85 | PDK2 (0.38) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL3558097 | 0.85 | PDK2 (0.38) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL3571545 | 0.84 | BRCA1 (0.39) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL3571539 | 0.84 | BRCA1 (0.39) | PDK2KDM4EHSD17B10ALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL3571100 | 0.83 | PDK2 (0.36) | PDK2KDM4EHSD17B10FFAR4TRPV1 | |
| Trifluoroacetic Acid SCHEMBL3571095 | 0.83 | PDK2 (0.36) | PDK2KDM4EHSD17B10FFAR4TRPV1 |
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-7713994-B2 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof | WYETH LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | WYETH (US) | 2008-04-10 | — | — | 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-20080085890-A1 | Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof | SULT1E1, RECQL, HAX1 | PDK2 1225/4885KDM4E 2158/4885HSD17B10 1969/4885 |
“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.