Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.50 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.48 |
| ▸ | CCNK | O75909 | 1/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827938 | 0.82 | CYP2A6 (0.49) | ALKCCNKCDK12KDM4EALDH1A1 | |
| SCHEMBL31306241 | 0.81 | SLC13A5 (0.46) | ALKSLC13A5CCNKCDK12ADRA1A | |
| SCHEMBL3488413 | 0.81 | SLC13A5 (0.46) | ALKSLC13A5CCNKCDK12KDM4E | |
| SCHEMBL8658483 | 0.80 | CYP19A1 (0.41) | ALKSLC13A5KDM4EALDH1A1TDP1 | |
| SCHEMBL27163025 | 0.80 | P2RX7 (0.39) | ALKSLC13A5KDM4EALDH1A1MAPK1 | |
| SCHEMBL26763864 | 0.79 | PIK3CD (0.44) | ALKKDM4EALDH1A1P2RX7DRD2 | |
| SCHEMBL14858072 | 0.78 | P2RX7 (0.61) | KDM4EALDH1A1L3MBTL1P2RX7DRD2 | |
| SCHEMBL14405048 | 0.77 | SLC13A5 (0.46) | ALKSLC13A5CCNKCDK12KDM4E | |
| SCHEMBL15156844 | 0.76 | HSD17B10 (0.47) | SLC13A5KDM4EALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL12681327 | 0.74 | CCNK (0.39) | ALKSLC13A5CCNKCDK12ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729448-B1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2015-09-09 | — | — | EP | disclosed |