Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL215921 | 1.00 | CES2 (0.58) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL217427 | 1.00 | CES2 (0.58) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL26180 | 1.00 | — | — | |
| SCHEMBL218386 | 1.00 | CES2 (0.58) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL216549 | 1.00 | CES2 (0.58) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL217105 | 1.00 | CES2 (0.58) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL217137 | 0.97 | — | — | |
| Sulfur Dioxide SCHEMBL461977 | 0.92 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL216556 | 0.90 | — | — | |
| SCHEMBL5660 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0900255-A1 | DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS | Ciba SC Holding AG (CH) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041176-A1 | DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1997-11-06 | — | — | WO | disclosed |