Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5987010 | 1.00 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL5986989 | 1.00 | TSHR (0.50) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL13647266 | 0.89 | TSHR (0.38) | TSHRSMN1; SMN2ELANE | |
| Ammonia Solution, Strong SCHEMBL31304789 | 0.86 | TSHR (0.36) | TSHRSMN1; SMN2ELANE | |
| SCHEMBL987906 | 0.86 | TSHR (0.65) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL7603123 | 0.82 | TSHR (0.48) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Acetic Acid SCHEMBL11076307 | 0.80 | TSHR (0.58) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL980018 | 0.80 | TSHR (0.35) | TSHR | |
| SCHEMBL979013 | 0.80 | TSHR (0.35) | TSHR | |
| SCHEMBL15047801 | 0.80 | TSHR (0.46) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016204991-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-22 | — | — | WO | disclosed |
| US-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-15 | — | — | US | disclosed |
| US-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-15 | — | — | US | disclosed |
| US-9394312-B1 | Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-07-19 | — | — | US | disclosed |
| US-9394312-B1 | Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-07-19 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8258179-B2 | Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use | XENOPORT, INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20110224295-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-7872046-B2 | Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use | XENOPORT, INC. (US) | 2011-01-18 | — | — | US | disclosed |
| US-7868043-B2 | Mesophasic forms of (3S)-aminomethyl-5-methyl-hexanoic acid prodrugs and methods of use | XENOPORT, INC. (US) | 2011-01-11 | — | — | US | disclosed |
| WO-2010150840-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2010-12-29 | — | — | WO | disclosed |
| US-20090215809-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | XENOPORT, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| US-20090192222-A1 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | 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 (5 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-20110224295-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | HEXA, ADSL, CYP2S1 | TSHR 1742/4885CHRM2 416/4885CHRM4 1046/4885 |
| US-20090215809-A1 | CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE | HEXA, ADSL, CYP2S1 | TSHR 1742/4885CHRM2 416/4885CHRM4 1046/4885 |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | REN, AGTR1, AGTR2 | TSHR 1316/4885CHRM2 171/4885CHRM4 450/4885 |
| US-20090192222-A1 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | SI, ACMSD, HMBS | TSHR 3309/4885CHRM2 685/4885CHRM4 1233/4885 |
| US-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | BTK, SYK, BCL9 | TSHR 3366/4885CHRM2 4812/4885CHRM4 4851/4885 |
“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.