Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899103 | 0.90 | CYP3A4 (0.55) | CASP1RECQLCYP3A4TSHRMAPK1 | |
| Aniline SCHEMBL5862814 | 0.78 | TSHR (0.55) | CYP3A4TSHRALDH1A1TDP1CYP19A1 | |
| SCHEMBL301882 | 0.77 | MAPT (0.50) | CASP1CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL8218323 | 0.73 | TSHR (0.48) | CYP3A4TSHRALDH1A1TDP1CYP19A1 | |
| SCHEMBL3355114 | 0.73 | ESR1 (0.47) | CASP1RECQLCYP3A4TSHRMAPK1 | |
| SCHEMBL37040 | 0.73 | CYP3A4 (0.67) | CASP1RECQLCYP3A4TSHRALDH1A1 | |
| Benzene SCHEMBL28308705 | 0.72 | TDP1 (0.50) | CASP1RECQLCYP3A4TSHRMAPK1 | |
| SCHEMBL5472428 | 0.72 | CYP3A4 (0.86) | CASP1RECQLCYP3A4TSHRMAPK1 | |
| SCHEMBL29371552 | 0.72 | — | — | |
| SCHEMBL62612 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110117431-A1 | LITHIUM SECONDARY BATTERY AND METHOD OF MANUFACTURING THE SAME | SANYO ELECTRIC CO., LTD. (JP) | 2011-05-19 | — | — | US | disclosed |