Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MRGPRX1 | Q96LB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2748271 | 0.78 | MEN1 (0.43) | TRPA1MEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2749079 | 0.75 | KMT2A (0.45) | TRPA1MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL2747947 | 0.75 | TRPA1 (0.40) | TRPA1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL2748797 | 0.75 | KDM4C (0.45) | TRPA1MEN1KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL2748675 | 0.73 | RHEB (0.43) | TRPA1CHEK2KDRNPC1RAB9A | |
| SCHEMBL2748398 | 0.71 | TRPA1 (0.37) | TRPA1MEN1KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL2748394 | 0.71 | TRPA1 (0.37) | TRPA1MEN1KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL3356548 | 0.70 | MEN1 (0.37) | TRPA1MEN1KMT2AL3MBTL1EGFR | |
| SCHEMBL16432196 | 0.68 | TRPA1 (0.55) | TRPA1MEN1KMT2AL3MBTL1EGFR | |
| SCHEMBL16433189 | 0.67 | LTA4H (0.44) | TRPA1MEN1KMT2AL3MBTL1EGFR |
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-8178543-B2 | growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-15 | — | — | US | disclosed |
| WO-2010036910-A1 | HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR | OHTA YOSHIKAZU (JP) | 2010-04-01 | — | — | WO | disclosed |
| US-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-13 | — | — | US | disclosed |
| US-7507740-B2 | Fused heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-24 | — | — | US | disclosed |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-29 | — | — | US | disclosed |
| US-20090018335-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-15 | — | — | US | disclosed |
| US-20070244132-A1 | Fused Heterocyclic Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1752457-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-02-14 | — | — | 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 (4 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-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | TRPA1 2871/4885MEN1 976/4885KMT2A 690/4885 |
| US-20070244132-A1 | Fused Heterocyclic Compound | NOX3, ERBB3, CBR3 | TRPA1 2871/4885MEN1 976/4885KMT2A 690/4885 |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | TRPA1 2871/4885MEN1 976/4885KMT2A 690/4885 |
| US-20090018335-A1 | FUSED HETEROCYCLIC COMPOUND | NOX3, ERBB3, CBR3 | TRPA1 2871/4885MEN1 976/4885KMT2A 690/4885 |
“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.