Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 6/20 | 0.60 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.51 |
| ▸ | CDK2 | P24941 | 5/20 | 0.51 |
| ▸ | CDK1 | P06493 | 2/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4512852 | 0.94 | KHK (0.55) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4505301 | 0.93 | KHK (0.54) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4522433 | 0.90 | KHK (0.53) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4509689 | 0.86 | CYP1A2 (0.49) | KHKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4507115 | 0.86 | KHK (0.63) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4596672 | 0.86 | KHK (0.54) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4522985 | 0.85 | CYP1A2 (0.50) | KHKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4514992 | 0.84 | KHK (0.60) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4502264 | 0.83 | KHK (0.59) | KHKCCNE1CDK2CDK1CCNB1 | |
| SCHEMBL4521006 | 0.82 | KHK (0.58) | KHKCCNE1CDK2CDK1CCNB1 |
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-20090137549-A1 | Novel compounds useful for the treatment of degenerative & inflamatory diseases | GALAPAGOS NV (BE) | 2009-05-28 | — | — | US | claimed |
| WO-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | WO | claimed |
| US-11166956-B2 | Combinations of PDE1 inhibitors and NEP inhibitors | INTRA-CELLULAR THERAPIES, INC. (US) | 2021-11-09 | — | — | US | disclosed |
| US-20190275046-A1 | NOVEL COMBINATION | INTRA-CELLULAR THERAPIES, INC. (US) | 2019-09-12 | — | — | US | disclosed |
| US-10285992-B2 | Combinations of PDE1 inhibitors and NEP inhibitors and associated methods | INTRA-CELLULAR THERAPIES, INC. (US) | 2019-05-14 | — | — | US | disclosed |
| US-20160038494-A1 | NOVEL COMBINATION | INTRA-CELLULAR THERAPIES, INC. | 2016-02-11 | — | — | US | disclosed |
| US-20090137549-A1 | Novel compounds useful for the treatment of degenerative & inflamatory diseases | GALAPAGOS NV (BE) | 2009-05-28 | — | — | US | disclosed |
| WO-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | 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 (5 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-20160038494-A1 | NOVEL COMBINATION | PDE5A, PDE2A, PDE3A | KHK 1206/4885CCNE1 2983/4885CDK2 1979/4885 |
| US-10285992-B2 | Combinations of PDE1 inhibitors and NEP inhibitors and associated methods | PDE5A, PDE3A, PDE2A | KHK 869/4885CCNE1 3374/4885CDK2 2246/4885 |
| US-20090137549-A1 | Novel compounds useful for the treatment of degenerative & inflamatory diseases | PDE4A, PDE7B, PDE4B | KHK 3420/4885CCNE1 4430/4885CDK2 2641/4885 |
| US-20190275046-A1 | NOVEL COMBINATION | PDE5A, PDE2A, PDE3A | KHK 1206/4885CCNE1 2983/4885CDK2 1979/4885 |
| US-11166956-B2 | Combinations of PDE1 inhibitors and NEP inhibitors | PDE5A, ECE1, PDE3A | KHK 977/4885CCNE1 2707/4885CDK2 1904/4885 |
“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.