Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | FURIN | P09958 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 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 | |
|---|---|---|---|---|
| SCHEMBL20959527 | 0.82 | ALDH1A1 (0.35) | ALDH1A1CYP1A2GRM5HCRTR2MAPT | |
| Hydrochloric Acid SCHEMBL28713483 | 0.81 | FURIN (0.37) | ALDH1A1CYP1A2GRM5FURINHCRTR2 | |
| Hydrochloric Acid SCHEMBL31144002 | 0.81 | FURIN (0.37) | ALDH1A1CYP1A2GRM5FURINHCRTR2 | |
| SCHEMBL20959453 | 0.78 | MEN1 (0.46) | ALDH1A1MAPTHPGDKMT2AALOX12 | |
| SCHEMBL31144052 | 0.73 | HCRTR2 (0.38) | HCRTR2TSHRHCRTR1 | |
| SCHEMBL28701004 | 0.73 | HCRTR2 (0.38) | HCRTR2TSHRHCRTR1 | |
| SCHEMBL20958747 | 0.72 | FURIN (0.49) | CYP1A2GRM5FURINHCRTR2PKM | |
| SCHEMBL18973309 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2MAPTHSD17B10HPGD | |
| SCHEMBL5857725 | 0.69 | FURIN (0.50) | ALDH1A1CYP1A2GRM5FURINHCRTR2 | |
| SCHEMBL2691952 | 0.69 | LOX (0.50) | FURIN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111032651-A | Heterocyclic compounds | 武田药品工业株式会社 | 2020-04-17 | — | — | CN | disclosed |
| US-10435399-B2 | HDAC6 inhibitory heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-10-08 | — | — | US | disclosed |
| US-20190135799-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-05-09 | — | — | US | 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-10435399-B2 | HDAC6 inhibitory heterocyclic compound | HDAC6, HDAC1, HDAC5 | ALDH1A1 400/4885CYP1A2 3883/4885GRM5 221/4885 |
| US-20190135799-A1 | HETEROCYCLIC COMPOUND | HDAC1, HDAC5, HDAC6 | ALDH1A1 417/4885CYP1A2 2387/4885GRM5 144/4885 |
“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.