Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | TPMT | P51580 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15468832 | 0.89 | TAS1R3 (0.45) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16836021 | 0.85 | TSHR (0.58) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL31038385 | 0.82 | MEN1 (0.46) | TPMTALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL14638933 | 0.78 | CA1 (0.53) | CA1CA2MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL13890438 | 0.78 | TSHR (0.66) | TSHRCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29782139 | 0.77 | HPGD (0.48) | TSHRMAPTPKMALDH1A1SMN1; SMN2 | |
| SCHEMBL29782181 | 0.76 | CES2 (0.57) | TSHRPKMALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL30031785 | 0.76 | CES2 (0.49) | CYP3A4MAPTPKMALDH1A1SMN1; SMN2 | |
| SCHEMBL29773117 | 0.76 | ACHE (0.43) | TSHRCYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL3644582 | 0.76 | CES2 (0.49) | CYP3A4MAPTPKMALDH1A1SMN1; SMN2 |
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-10207984-B2 | Cyclopropyl derivatives and methods of use | EMORY UNIVERSITY (US) | 2019-02-19 | — | — | US | disclosed |
| US-10093609-B2 | TAK1 kinase inhibitors, compositions, and uses related thereto | EMORY UNIVERSITY (US) | 2018-10-09 | — | — | US | disclosed |
| US-20170369417-A1 | TAK1 Kinase Inhibitors, Compositions, and Uses Related Thereto | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-12-28 | — | — | US | disclosed |
| US-9751825-B2 | TAK1 kinase inhibitors, compositions, and used related thereto | EMORY UNIVERSITY (US) | 2017-09-05 | — | — | US | disclosed |
| US-20160244403-A1 | Cyclopropyl Derivatives and Methods of Use | UNIV EMORY (US) | 2016-08-25 | — | — | US | disclosed |
| US-20140249199-A1 | TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO | HEALTH RESEARCH, INC. (US) | 2014-09-04 | — | — | US | disclosed |
| EP-2699539-A2 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | Emory University (US) | 2014-02-26 | — | — | EP | disclosed |
| US-20140045936-A1 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) | 2014-02-13 | — | — | US | disclosed |
| WO-2013012998-A1 | TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO | EMORY UNIVERSITY (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2012145234-A2 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | EMORY UNIVERSITY (US) | 2012-10-26 | — | — | 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 (6 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-20160244403-A1 | Cyclopropyl Derivatives and Methods of Use | CNR2, FKBP8, FKBP5 | TSHR 3988/4885CYP1A2 347/4885CYP3A4 1035/4885 |
| US-10093609-B2 | TAK1 kinase inhibitors, compositions, and uses related thereto | TAB1, MAP3K1, MAP3K6 | TSHR 4115/4885CYP1A2 3866/4885CYP3A4 4257/4885 |
| US-10207984-B2 | Cyclopropyl derivatives and methods of use | CNR2, FKBP8, FKBP5 | TSHR 3988/4885CYP1A2 347/4885CYP3A4 1035/4885 |
| US-20140249199-A1 | TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO | TAB1, MAP3K1, MAP3K6 | TSHR 4112/4885CYP1A2 3871/4885CYP3A4 4128/4885 |
| US-20170369417-A1 | TAK1 Kinase Inhibitors, Compositions, and Uses Related Thereto | TAB1, MAP3K1, MAP3K6 | TSHR 4115/4885CYP1A2 3866/4885CYP3A4 4257/4885 |
| US-20140045936-A1 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | CNR2, FKBP8, FKBP5 | TSHR 3988/4885CYP1A2 347/4885CYP3A4 1035/4885 |
“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.