Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.60 |
| ▸ | HTR3B | O95264 | 1/20 | 0.60 |
| ▸ | HTR1D | P28221 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | HTR3A | P46098 | 1/20 | 0.60 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.60 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | DHFR | P00374 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PHGDH | O43175 | 2/20 | 0.51 |
| ▸ | MLYCD | O95822 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28226906 | 0.83 | ALDH1A1 (0.77) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL5301678 | 0.78 | HTR3E (0.57) | ALDH1A1SIGMAR1HTR3EHTR3BHTR2C | |
| SCHEMBL27506706 | 0.78 | ALDH1A1 (0.60) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL12706910 | 0.76 | ALDH1A1 (0.72) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL22324884 | 0.76 | MAPT (0.48) | ALDH1A1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL1101976 | 0.75 | ALDH1A1 (0.74) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL6094745 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL9362589 | 0.75 | ALDH1A1 (0.66) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL7295918 | 0.75 | ALDH1A1 (0.66) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL231692 | 0.75 | ALDH1A1 (1.00) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D |
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 |