Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2737250 | 0.83 | IDH1 (0.39) | IDH1RAB9ANPC1SLC13A5MAPK1 | |
| SCHEMBL24664412 | 0.78 | MAPK1 (0.34) | IDH1RAB9ANPC1SLC13A5MAPK1 | |
| Bromide SCHEMBL28277639 | 0.74 | ALDH1A1 (0.41) | IDH1RAB9ANPC1SLC13A5MAPK1 | |
| SCHEMBL30320157 | 0.74 | MAPK1 (0.34) | RAB9ANPC1MAPK1KMT2AALDH1A1 | |
| SCHEMBL335261 | 0.74 | IDH1 (0.38) | IDH1RAB9ANPC1CCNKCDK12 | |
| SCHEMBL25199078 | 0.72 | — | — | |
| SCHEMBL25465596 | 0.72 | — | — | |
| SCHEMBL4314373 | 0.72 | — | — | |
| SCHEMBL221665 | 0.70 | — | — | |
| Bromide SCHEMBL28623875 | 0.69 | MAPK1 (0.39) | RAB9ANPC1SLC13A5MAPK1MEN1 |
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-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |