Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | GLP1R | P43220 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10314466 | 0.94 | ALDH1A1 (0.42) | ALDH1A1KDM4ETP53HSD17B10CYP3A4 | |
| SCHEMBL1061151 | 0.93 | SMO (0.46) | ALDH1A1KDM4ETP53HSD17B10CYP3A4 | |
| SCHEMBL1058624 | 0.92 | KDM4E (0.41) | ALDH1A1KDM4ETP53HSD17B10SMO | |
| SCHEMBL17667835 | 0.90 | CYP3A4 (0.43) | ALDH1A1KDM4ETP53HSD17B10CYP3A4 | |
| SCHEMBL12933480 | 0.88 | TP53 (0.46) | ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL1060796 | 0.88 | POLB (0.42) | ALDH1A1KDM4ETP53HSD17B10SMO | |
| SCHEMBL1062906 | 0.88 | DRD4 (0.43) | ALDH1A1KDM4ETP53HSD17B10 | |
| SCHEMBL1061414 | 0.87 | KDM4E (0.41) | ALDH1A1KDM4ETP53HSD17B10SMO | |
| SCHEMBL1062425 | 0.86 | SMO (0.53) | ALDH1A1KDM4ETP53HSD17B10SMO | |
| SCHEMBL1062905 | 0.86 | KDM4E (0.42) | ALDH1A1KDM4ETP53HSD17B10SMO |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | US | disclosed |
| WO-2009107850-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-03 | — | — | 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 (2 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-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | ALDH1A1 745/4885KDM4E 528/4885TP53 3556/4885 |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | ALDH1A1 776/4885KDM4E 464/4885TP53 3584/4885 |
“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.