Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | CASP6 | P55212 | 2/20 | 0.45 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4260431 | 0.83 | TACR1 (0.61) | TACR1ALDH1A1ACACB | |
| SCHEMBL29638875 | 0.83 | TACR1 (0.61) | TACR1ALDH1A1ACACB | |
| SCHEMBL1569237 | 0.83 | TACR1 (0.61) | TACR1ALDH1A1ACACB | |
| SCHEMBL7901353 | 0.82 | RECQL (0.56) | TACR1RECQLALDH1A1CASP3ACACB | |
| SCHEMBL12396105 | 0.78 | ANPEP (0.51) | TACR1TAS1R3TAS1R1ALDH1A1CASP1 | |
| SCHEMBL31322986 | 0.75 | ELANE (0.57) | RECQLALDH1A1 | |
| SCHEMBL11996303 | 0.75 | ELANE (0.57) | RECQLALDH1A1 | |
| SCHEMBL31323041 | 0.75 | TACR1 (0.66) | TACR1ALDH1A1 | |
| Acetone SCHEMBL15224657 | 0.74 | KMT2A (0.51) | RECQLALDH1A1 | |
| SCHEMBL4211750 | 0.74 | TAS1R3 (0.71) | TAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | claimed |
| US-20050054691-A1 | Carboxylesterase inhibitors | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2005-03-10 | — | — | US | claimed |
| WO-2005021721-A2 | CARBOXYLESTERASE INHIBITORS | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2005-03-10 | — | — | WO | claimed |
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-20050054691-A1 | Carboxylesterase inhibitors | CES1, CES2, BCHE | TACR1 2027/4885RECQL 447/4885TAS1R3 3571/4885 |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | CES1, BCHE, CES2 | TACR1 1665/4885RECQL 477/4885TAS1R3 3624/4885 |
“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.