Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.62 |
| ▸ | TP53 | P04637 | 5/20 | 0.62 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.61 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | AHR | P35869 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31264147 | 0.79 | ESR2 (0.55) | ALDH1A1HPGDKDM4EHSD17B10GAA | |
| SCHEMBL14856915 | 0.79 | ESR2 (0.55) | ALDH1A1HPGDKDM4EHSD17B10GAA | |
| SCHEMBL30630392 | 0.79 | ESR2 (0.55) | ALDH1A1HPGDKDM4EHSD17B10GAA | |
| SCHEMBL23288103 | 0.79 | SMN1; SMN2 (0.68) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL3796996 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL1422890 | 0.77 | CHRNB2 (1.00) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL7100987 | 0.76 | CYP11B2 (0.50) | SMN1; SMN2ALDH1A1HPGDKDM4EGAA | |
| SCHEMBL1423193 | 0.76 | CHRNB2 (0.83) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL1422881 | 0.76 | CHRNB2 (0.90) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 | |
| SCHEMBL1422554 | 0.75 | CHRNB2 (0.76) | SMN1; SMN2TP53CHRNB2CHRNA5CHRNA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101605542-A | Pharmaceutical compositions and methods of use thereof | ABBOTT LAB (US) | 2009-12-16 | — | — | CN | disclosed |