Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 8/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3568835 | 1.00 | NPC1 (0.44) | NPC1RAB9AALKKDM4EALDH1A1 | |
| SCHEMBL3574781 | 0.89 | MAP4K1 (0.43) | NPC1RAB9AALKMAP4K1HTR1A | |
| SCHEMBL3574175 | 0.89 | MAPKAPK2 (0.43) | NPC1RAB9AALKMAP4K1F10 | |
| SCHEMBL3573753 | 0.89 | MAP4K1 (0.43) | NPC1RAB9AALKMAP4K1HTR1A | |
| SCHEMBL3574786 | 0.89 | MAP4K1 (0.43) | NPC1RAB9AALKMAP4K1HTR1A | |
| SCHEMBL3573755 | 0.89 | MAP4K1 (0.43) | NPC1RAB9AALKMAP4K1HTR1A | |
| SCHEMBL3574178 | 0.89 | MAPKAPK2 (0.43) | NPC1RAB9AALKMAP4K1F10 | |
| SCHEMBL3563166 | 0.89 | ABL1 (0.44) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL3563172 | 0.89 | ABL1 (0.44) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL3562969 | 0.89 | NPC1 (0.43) | NPC1RAB9AALKKDM4EALDH1A1 |
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 8 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | NPC1 538/4885RAB9A 1293/4885ALK 4244/4885 |
“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.