Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304995 | 0.77 | LMNA (0.50) | LMNACYP2A6CA1CA2CA9 | |
| SCHEMBL2680100 | 0.74 | LMNA (0.47) | LMNACYP2A6CA1CA2CA9 | |
| SCHEMBL15304564 | 0.72 | LMNA (0.44) | LMNACYP2A6CA1CA2ALDH1A1 | |
| SCHEMBL28622294 | 0.72 | CES2 (0.36) | CA1CA2CA9CA7ALDH1A1 | |
| SCHEMBL10425733 | 0.70 | LMNA (0.42) | LMNACYP2A6CA1CA2CA9 | |
| SCHEMBL2154603 | 0.69 | TSHR (0.48) | LMNACYP2A6CES2CES1IDO1 | |
| SCHEMBL8742375 | 0.69 | TSHR (0.48) | LMNACYP2A6CES2CES1IDO1 | |
| 1,4-Dichlorobenzene SCHEMBL29138720 | 0.67 | LMNA (0.80) | LMNACYP2A6CA1CA2CA9 | |
| SCHEMBL31189336 | 0.67 | MAPT (0.41) | LMNACYP2A6ALDH1A1HSD17B10TSHR | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113292598-A | Axial chiral biaryl compound with P-stereocenter and synthesis method and application thereof | 陕西师范大学 | 2021-08-24 | — | — | CN | disclosed |