Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4928318 | 0.83 | MAPT (0.54) | ALDH1A1MAPTHTTTSHRHTR2C | |
| Hydrochloric Acid SCHEMBL4926341 | 0.82 | ALDH1A1 (0.55) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL2470019 | 0.78 | JAK2 (0.66) | JAK2 | |
| SCHEMBL14578278 | 0.76 | LTA4H (0.70) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL4270048 | 0.74 | TSHR (0.63) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL15867093 | 0.74 | RAB9A (0.65) | MAPTTSHRNPC1KDM4EMEN1 | |
| SCHEMBL19089351 | 0.74 | ALDH1A1 (0.59) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL1788794 | 0.74 | EGFR (0.47) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL2866474 | 0.74 | TSHR (0.65) | ALDH1A1MAPTHTTTSHRHTR2C | |
| SCHEMBL5692458 | 0.72 | ALDH1A1 (0.63) | ALDH1A1MAPTHTTTSHRHTR2C |
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-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |