Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RB1 | P06400 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.34 |
| ▸ | ITGAV | P06756 | 3/20 | 0.34 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.33 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3565216 | 0.88 | RB1 (0.43) | RB1CDK1CDK4CCNB1CCND1 | |
| Hydrochloric Acid SCHEMBL3570138 | 0.87 | RB1 (0.42) | RB1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3580054 | 0.75 | SCD (0.41) | RB1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3571776 | 0.70 | SMN1; SMN2 (0.59) | CDK1CDK4CCNB1CCND1CDK2 | |
| Trifluoroacetic Acid SCHEMBL3565329 | 0.68 | TPSAB1 (0.44) | ITGB3ITGB1ITGAVITGA5GAA | |
| SCHEMBL1912334 | 0.68 | LOXL2 (0.59) | KLKB1LOXL2LMNAPKM | |
| SCHEMBL3559620 | 0.66 | RB1 (0.35) | RB1CDK1CDK4CCNB1CCND1 | |
| SCHEMBL3569436 | 0.64 | RB1 (0.36) | RB1CDK1CDK4CCNB1CCND1 | |
| Benzylamine SCHEMBL5450068 | 0.63 | LOXL2 (0.61) | ITGB3ITGB1ITGAVITGA5KLKB1 | |
| SCHEMBL3566493 | 0.62 | HCAR1 (0.36) | GAASMN1; SMN2PKM |
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-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 |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | 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 |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | 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 | RB1 1280/4885CDK1 661/4885CDK4 529/4885 |
“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.