Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | IDH1 | O75874 | 3/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9605457 | 0.84 | ALDH1A1 (0.44) | ALDH1A1IDH1TSHRCASP1CASP7 | |
| SCHEMBL24880084 | 0.80 | ALDH1A1 (0.41) | ALDH1A1IDH1TSHRCASP1CASP7 | |
| SCHEMBL20206735 | 0.77 | ALDH1A1 (0.39) | ALDH1A1IDH1TRPV6TSHRCASP1 | |
| SCHEMBL21324857 | 0.77 | NPC1 (0.43) | ALDH1A1IDH1TRPV6TSHRCASP1 | |
| SCHEMBL31292260 | 0.75 | SGK1 (0.38) | ALDH1A1SMN1; SMN2RORCGAAPOLB | |
| SCHEMBL609810 | 0.74 | DGAT1 (0.45) | ALDH1A1HSD17B10DGAT1SOAT1KCNH2 | |
| SCHEMBL19646432 | 0.74 | ALDH1A1 (0.36) | ALDH1A1IDH1TRPV6SMN1; SMN2RORC | |
| SCHEMBL31292404 | 0.71 | CNR1 (0.43) | ALDH1A1RORCGAAPOLB | |
| SCHEMBL24866060 | 0.71 | CNR2 (0.40) | ALDH1A1 | |
| SCHEMBL1415743 | 0.71 | TSHR (0.44) | ALDH1A1TSHRHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023146512-A1 | COMPOUNDS AND METHODS OF USE THEREOF | VIVACE THERAPEUTICS, INC. (US) | 2023-08-03 | — | — | WO | disclosed |
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |