Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL25827583 | 0.89 | ESR1 (0.37) | ALDH1A1ESR1ESR2MCL1RORC | |
| SCHEMBL21324857 | 0.84 | NPC1 (0.43) | ALDH1A1MCL1SMN1; SMN2NPC1LMNA | |
| SCHEMBL9605457 | 0.79 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2NPC1LMNACASP3 | |
| SCHEMBL19646432 | 0.77 | ALDH1A1 (0.36) | ALDH1A1ESR1ESR2MCL1SMN1; SMN2 | |
| SCHEMBL2635488 | 0.77 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2TRPV6IDH1TSHR | |
| SCHEMBL24880084 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2IDH1TSHRCASP1 | |
| SCHEMBL24866060 | 0.74 | CNR2 (0.40) | ALDH1A1ESR1ESR2 | |
| SCHEMBL31292260 | 0.71 | SGK1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL609810 | 0.70 | DGAT1 (0.45) | ALDH1A1HSD17B10KMT2ADGAT1SOAT1 | |
| SCHEMBL21738168 | 0.68 | ESR1 (0.34) | ESR1ESR2 |
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-2018098204-A1 | 6-MEMBERED URACIL ISOSTERES | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |