Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.56 |
| ▸ | CHRNA5 | P30532 | 4/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 7/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1423075 | 0.84 | S1PR1 (0.52) | ALDH1A1MAPK1CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL22501576 | 0.83 | EPHX2 (0.64) | SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL27767567 | 0.80 | S1PR1 (0.52) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB | |
| SCHEMBL4456834 | 0.80 | TP53 (0.62) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB | |
| SCHEMBL3715047 | 0.80 | CHRNB2 (0.62) | ALDH1A1CHRNB2CHRNA5CHRNA4CA9 | |
| SCHEMBL1422372 | 0.79 | KMO (0.67) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB | |
| SCHEMBL2273541 | 0.79 | CHRNB2 (0.66) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB | |
| Hydrochloric Acid SCHEMBL2278057 | 0.78 | CHRNB2 (0.64) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB | |
| SCHEMBL6565112 | 0.78 | L3MBTL1 (0.59) | POLBTP53MAPTKMT2ATSHR | |
| SCHEMBL3684765 | 0.78 | TP53 (0.54) | ALDH1A1CHRNB2CHRNA5CHRNA4POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2226074-B1 | Pharmaceutical compositions and their methods of use | ABBVIE INC (US) | 2015-11-04 | — | — | EP | claimed |
| EP-2101763-B1 | PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE | ABBOTT LAB (US) | 2012-07-18 | — | — | EP | claimed |