Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | NNMT | P40261 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23012008 | 0.87 | KDM1A (0.41) | KDM1ASIRT2TSHRPARP1HSD17B3 | |
| SCHEMBL25171204 | 0.85 | ALDH1A1 (0.49) | KDM1ATSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL28314063 | 0.80 | ALDH1A1 (0.42) | KDM4EALDH1A1TRPA1 | |
| SCHEMBL2116517 | 0.72 | TSHR (0.40) | KDM1ASIRT2TSHRPARP1HSD17B3 | |
| SCHEMBL21168435 | 0.70 | HSD17B3 (0.55) | KDM1ASIRT2TSHRPARP1HSD17B3 | |
| SCHEMBL29640801 | 0.69 | TRPA1 (0.38) | KDM1APARP1TRPA1 | |
| SCHEMBL20896958 | 0.69 | HTR2A (0.38) | KDM1ATSHR | |
| SCHEMBL29699585 | 0.69 | HTR2A (0.38) | KDM1ATSHR | |
| SCHEMBL22780705 | 0.69 | — | — | |
| SCHEMBL28218152 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061953-A | Compound binding to PPARG but not acting as promoter and pharmaceutical composition for treating diseases related to PPARG comprising the same as active ingredient | 现代药品株式会社 | 2016-10-26 | — | — | CN | disclosed |
| CN-105189461-A | 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors | GLAXOSMITHKLINE IP NO 2 LTD | 2015-12-23 | — | — | CN | disclosed |