Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GPR183 | P32249 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2078886 | 0.86 | ALDH1A1 (0.44) | ALDH1A1PKMTSHRUSP2GPR183 | |
| SCHEMBL8512706 | 0.80 | TNF (0.54) | ALDH1A1PKMTSHRKDM4ESMN1; SMN2 | |
| SCHEMBL2082446 | 0.80 | CNR1 (0.50) | ALDH1A1PKMTSHRKDM4ESMN1; SMN2 | |
| SCHEMBL2077950 | 0.74 | PKM (0.43) | ALDH1A1PKMTSHRUSP2GPR183 | |
| SCHEMBL29060784 | 0.71 | PKM (0.66) | ALDH1A1PKMGPR183GAAL3MBTL1 | |
| SCHEMBL12778130 | 0.70 | KDM4E (0.56) | ALDH1A1PKMTSHRKDM4EL3MBTL1 | |
| SCHEMBL4034882 | 0.70 | TSHR (0.56) | ALDH1A1PKMTSHRKDM4EGAA | |
| SCHEMBL2082017 | 0.69 | TSHR (0.49) | ALDH1A1PKMTSHRUSP2KDM4E | |
| SCHEMBL14345614 | 0.69 | PKM (0.39) | ALDH1A1PKMTSHRUSP2GPR183 | |
| SCHEMBL5447251 | 0.69 | ALDH1A1 (0.52) | ALDH1A1PKMTSHRGPR183GAA |
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-2457900-A1 | New pyrazole derivatives having CRTh2 antagonistic behaviour | Almirall, S.A. (ES) | 2012-05-30 | — | — | EP | disclosed |