Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | BCR | P11274 | 2/20 | 0.36 |
| ▸ | EIF4E | P06730 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1199101 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL12890246 | 0.88 | KDM4E (0.44) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL12876201 | 0.87 | KLKB1 (0.40) | ALDH1A1KMT2AEIF4EKLKB1RAB9A | |
| SCHEMBL1198589 | 0.87 | MMP13 (0.40) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL1198742 | 0.87 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL1198758 | 0.87 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL1197745 | 0.86 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| Trifluoroacetic Acid SCHEMBL2863073 | 0.85 | GPR132 (0.39) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL1198676 | 0.85 | MEN1 (0.43) | ALDH1A1KDM4EMEN1KMT2AEGLN1 | |
| SCHEMBL1198794 | 0.85 | MEN1 (0.45) | ALDH1A1KDM4EMEN1KMT2AEGLN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | US | disclosed |
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | EP | 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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | ALDH1A1 1037/4885KDM4E 1877/4885MEN1 2661/4885 |
“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.