Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL821117 | 0.87 | IKBKB (0.46) | ALDH1A1KDM4ELMNATARBP2NPSR1 | |
| SCHEMBL9831245 | 0.87 | KDM4E (0.52) | ALDH1A1KDM4ELMNATARBP2NPSR1 | |
| SCHEMBL820892 | 0.84 | GAA (0.48) | ALDH1A1KDM4ETARBP2IKBKBNOTUM | |
| SCHEMBL9830911 | 0.82 | KDM4E (0.50) | ALDH1A1KDM4ELMNATARBP2NPSR1 | |
| SCHEMBL27607168 | 0.82 | KDM4E (0.46) | ALDH1A1KDM4EIKBKBHPGDNFKB1 | |
| SCHEMBL820999 | 0.81 | PPARD (0.56) | ALDH1A1KDM4ELMNAIKBKBNOTUM | |
| SCHEMBL1436227 | 0.78 | HSD17B10 (0.54) | ALDH1A1KDM4ELMNATARBP2HPGD | |
| SCHEMBL9833283 | 0.78 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNATARBP2NPSR1 | |
| SCHEMBL821118 | 0.77 | PPARA (0.43) | ALDH1A1HSD17B10PPARAPPARG | |
| SCHEMBL10746500 | 0.76 | TARBP2 (0.49) | ALDH1A1KDM4ELMNATARBP2NPSR1 |
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 |