Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL5032948 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TP53NPC1SMN1; SMN2RAB9A | |
| SCHEMBL5029832 | 0.88 | ALDH1A1 (0.39) | ALDH1A1TP53NPC1MAPTSMN1; SMN2 | |
| SCHEMBL5031737 | 0.86 | PPARA (0.41) | PPARGPPARDPPARA | |
| SCHEMBL5032956 | 0.85 | HRH3 (0.38) | ALDH1A1NPC1SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL5031870 | 0.85 | LMNA (0.43) | ALDH1A1NPC1SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL5030063 | 0.83 | CHRM3 (0.42) | ALDH1A1NPC1RAB9AESR1POLB | |
| SCHEMBL5029835 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TP53NPC1MAPTSMN1; SMN2 | |
| SCHEMBL5032820 | 0.80 | PPARA (0.40) | ALDH1A1NPC1PPARGPPARDPPARA | |
| SCHEMBL5034466 | 0.77 | HTT (0.43) | ALDH1A1MAPTKMT2ALMNAPPARG | |
| SCHEMBL3413951 | 0.75 | PTPN11 (0.51) | ALDH1A1TP53NPC1MAPTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7371777-B2 | Cyclic compound and PPAR agonist | EISAI CO., LTD. (JP) | 2008-05-13 | — | — | US | disclosed |
| US-7371777-B2 | Cyclic compound and PPAR agonist | EISAI CO., LTD. (JP) | 2008-05-13 | — | — | US | disclosed |
| US-7371777-B2 | Cyclic compound and PPAR agonist | EISAI CO., LTD. (JP) | 2008-05-13 | — | — | US | disclosed |