Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14968784 | 0.86 | P2RX7 (0.43) | CYP1A2CYP3A4TDP1HDAC4KDM4E | |
| SCHEMBL639563 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP1A2HTTGAACTSD | |
| SCHEMBL7759530 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP1A2HTTGAACTSD | |
| Hydrochloric Acid SCHEMBL27529639 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CYP1A2HTTGAACTSD | |
| Hydrochloric Acid SCHEMBL4200885 | 0.80 | ALDH1A1 (0.62) | ALDH1A1CYP1A2HTTGAACTSD | |
| SCHEMBL2205442 | 0.79 | SLC6A2 (0.54) | ALDH1A1HTTCTSDMEN1KMT2A | |
| SCHEMBL2492017 | 0.78 | CTSD (0.43) | ALDH1A1CYP1A2HTTGAACTSD | |
| SCHEMBL2068072 | 0.74 | HTT (0.43) | ALDH1A1CYP1A2HTTGAACTSD | |
| SCHEMBL19664706 | 0.74 | GABBR2 (0.41) | ALDH1A1CYP1A2HTTCYP3A4KDM4E | |
| SCHEMBL18426300 | 0.74 | HTT (0.46) | ALDH1A1CYP1A2HTTGAACTSD |
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-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |