Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL2061320 | 0.92 | ALDH1A1 (0.43) | ALDH1A1GAALMNACYP1A2MAPT | |
| SCHEMBL5519155 | 0.89 | GAA (0.47) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL20175319 | 0.87 | GAA (0.43) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL28141980 | 0.86 | CYP1A2 (0.42) | ALDH1A1GAALMNACYP1A2MAPT | |
| SCHEMBL5519181 | 0.85 | MAPT (0.47) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17505037 | 0.84 | MAPT (0.40) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17505042 | 0.84 | ALDH1A1 (0.42) | ALDH1A1GAALMNAMAPTSMN1; SMN2 | |
| SCHEMBL24629988 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL29769074 | 0.83 | SMN1; SMN2 (0.39) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL499016 | 0.83 | NOS3 (0.48) | ALDH1A1PIK3CDPIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| US-9834520-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-05 | — | — | US | disclosed |
| US-20160229814-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-08-11 | — | — | US | disclosed |
| EP-2975031-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20070167445-A1 | Androgen receptor modulator compounds and methods | LIGAND PHARMACEUTICALS, INC. | 2007-07-19 | — | — | US | disclosed |
| EP-1212330-B1 | ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARM INC (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20030186970-A1 | Androgen receptor modulator compounds and methods | LIGAND PHARMACEUTICALS, INC, | 2003-10-02 | — | — | US | disclosed |
| US-6462038-B1 | SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS | LIGAND PHARMACEUTICALS, INC. | 2002-10-08 | — | — | US | disclosed |
| WO-2001016139-A9 | ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARM INC (US) | 2002-09-19 | — | — | WO | disclosed |
| EP-1212330-A1 | ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016139-A1 | ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2001-03-08 | — | — | 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 (3 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-20160229814-A1 | HETEROCYCLIC COMPOUND | RORB, RORC, RORA | ALDH1A1 312/4885PIK3CD 2339/4885PIK3CA 2600/4885 |
| US-20030186970-A1 | Androgen receptor modulator compounds and methods | AR, NR5A1, FSHR | ALDH1A1 1492/4885PIK3CD 1446/4885PIK3CA 848/4885 |
| US-20070167445-A1 | Androgen receptor modulator compounds and methods | AR, NR5A1, FSHR | ALDH1A1 1492/4885PIK3CD 1446/4885PIK3CA 848/4885 |
“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.