Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9840242 | 1.00 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL10720759 | 1.00 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL9840410 | 1.00 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL9839619 | 1.00 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL9839787 | 0.99 | NPC1 (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL9840433 | 0.96 | NPC1 (0.50) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL10620373 | 0.95 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL10620366 | 0.95 | RARB (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL9358050 | 0.94 | RARB (0.50) | RARBNPC1SMN1; SMN2LMNANFKB1 | |
| SCHEMBL10722939 | 0.94 | NPC1 (0.48) | RARBNPC1SMN1; SMN2LMNANFKB1 |
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-0220297-B1 | NITROGEN-CONTAINING HETEROCYCLES | MERCK PATENT GmbH (DE) | 1991-12-11 | — | — | EP | disclosed |
| EP-0220297-A1 | NITROGEN-CONTAINING HETEROCYCLES. | MERCK PATENT GMBH (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006373-A1 | NITROGEN-CONTAINING HETEROCYCLES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-11-06 | — | — | WO | disclosed |