Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10746500 | 0.85 | TARBP2 (0.49) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL4427114 | 0.84 | VDR (0.50) | KDM4EPPARDPPARGPPARA | |
| SCHEMBL9830911 | 0.82 | KDM4E (0.50) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL18003574 | 0.82 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL9831245 | 0.81 | KDM4E (0.52) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL18003205 | 0.80 | TARBP2 (0.44) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL9830393 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL9833935 | 0.78 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4ETARBP2XBP1 | |
| SCHEMBL18003366 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNAKDM4ETARBP2NPSR1 | |
| Romazarit SCHEMBL43265 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNAKDM4ETARBP2PPARD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0220573-B1 | HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-12-11 | — | — | EP | disclosed |
| US-4774253-A | ETHER,-ACIDS, ESTERS OR AMIDES | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| EP-0220573-A1 | Heterocyclic compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1987-05-06 | — | — | EP | disclosed |