Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947075 | 0.85 | MAPK1 (0.42) | TSHRGABRA1GABRB2TDP1MAPK1 | |
| SCHEMBL6900861 | 0.85 | MAPK1 (0.42) | TSHRGABRA1GABRB2TDP1MAPK1 | |
| SCHEMBL10593629 | 0.83 | TSHR (0.43) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL2270593 | 0.82 | TRPA1 (0.43) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL9504882 | 0.81 | GABRA1 (0.45) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL11106181 | 0.81 | TSHR (0.41) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL8740212 | 0.79 | ALDH1A1 (0.52) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL13408217 | 0.79 | TSHR (0.39) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL17507508 | 0.79 | ACHE (0.39) | TSHRACHEGABRA1GABRB2TDP1 | |
| SCHEMBL1318701 | 0.79 | TSHR (0.39) | TSHRACHEGABRA1GABRB2TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9566290-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-02-14 | — | — | US | disclosed |
| EP-2982672-A1 | Hypervalent iodine CF2CF2X reagents and their use | ETH Zurich (CH) | 2016-02-10 | — | — | EP | disclosed |
| EP-2021330-B1 | BENZIMIDAZOLE MODULATORS OF VR1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-22 | — | — | EP | disclosed |
| US-7388021-B2 | Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions | BRISTOL MYERS SQUIBB COMPANY (US) | 2008-06-17 | — | — | US | disclosed |
| EP-0261962-B1 | PROCESS FOR PRODUCING PROPYLENE BLOCK COPOLYMER | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1993-07-28 | — | — | EP | disclosed |
| EP-0261962-A2 | Process for producing propylene block copolymer | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1988-03-30 | — | — | EP | disclosed |