Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC1 | P07992 | 1/20 | 0.37 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 5/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 4/20 | 0.35 |
| ▸ | FNTA | P49354 | 2/20 | 0.35 |
| ▸ | FNTB | P49356 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21015966 | 0.94 | ERCC1 (0.41) | ERCC1ERCC4BACE1APPROCK2 | |
| SCHEMBL23471006 | 0.89 | HDAC3 (0.39) | ROCK2MMP13CA12CA1CA2 | |
| SCHEMBL21015864 | 0.88 | BACE1 (0.38) | BACE1APPROCK2PPARGMMP13 | |
| SCHEMBL19634396 | 0.88 | ERCC1 (0.38) | ERCC1ERCC4CA12CA1CA2 | |
| SCHEMBL21015871 | 0.86 | NR1H4 (0.35) | ROCK2MMP13SLC7A5 | |
| SCHEMBL23470999 | 0.85 | HDAC3 (0.41) | ROCK2MMP13FNTAFNTBCA12 | |
| SCHEMBL19634408 | 0.84 | ERCC1 (0.40) | ERCC1ERCC4KMT2ACA12CA1 | |
| SCHEMBL21015862 | 0.82 | NR1H4 (0.38) | ROCK2MMP13CA1CA2CA7 | |
| SCHEMBL19634741 | 0.82 | SPR (0.44) | ERCC1ERCC4BACE1APPROCK2 | |
| SCHEMBL19634428 | 0.81 | ERCC1 (0.42) | ERCC1ERCC4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |