Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 2/20 | 0.31 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17560426 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL17560403 | 0.80 | HTT (0.44) | BIRC2HRH4CYP2C9POLBEPHX1 | |
| SCHEMBL17560445 | 0.78 | CHRNB2 (0.42) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL15360066 | 0.77 | CHRNB2 (0.47) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL15360065 | 0.77 | CHRNB2 (0.47) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL4332763 | 0.77 | CHRNB2 (0.47) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL17560342 | 0.77 | BIRC2 (0.42) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL17560335 | 0.76 | CHRNB2 (0.46) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL17294230 | 0.75 | BIRC2 (0.40) | BIRC2HRH4CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL17560438 | 0.74 | HTT (0.48) | POLBEPHX1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016034134-A1 | HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-03-10 | — | — | WO | disclosed |