Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9454709 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL8622972 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL8622975 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL13492793 | 0.82 | ENPP2 (0.44) | ALDH1A1TSHRKDM4EPKMCYP4F2 | |
| SCHEMBL7489493 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL7489498 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL27450402 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TRPA1TSHRKDM4EPKM | |
| SCHEMBL10021704 | 0.79 | HSD17B3 (0.61) | ALDH1A1KDM4EPKMHSD17B3HDAC4 | |
| SCHEMBL3565886 | 0.79 | KDM4E (0.59) | ALDH1A1TSHRKDM4EPKMHSD17B3 | |
| SCHEMBL3565889 | 0.79 | KDM4E (0.59) | ALDH1A1TSHRKDM4EPKMHSD17B3 |
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-1966214-B1 | TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-02 | — | — | EP | disclosed |