Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199252 | 1.00 | CTSK (0.38) | CTSKTRPA1RAB9AKDM4ECA1 | |
| SCHEMBL10399064 | 0.80 | CHRNB2 (0.60) | RAB9AKDM4ECHRNB2CHRNA4CYP3A4 | |
| SCHEMBL10399063 | 0.80 | CHRNB2 (0.60) | RAB9AKDM4ECHRNB2CHRNA4CYP3A4 | |
| SCHEMBL618160 | 0.78 | AAK1 (0.33) | RAB9AALDH1A1AAK1 | |
| SCHEMBL618159 | 0.78 | AAK1 (0.33) | RAB9AALDH1A1AAK1 | |
| SCHEMBL618512 | 0.75 | CHRNB2 (0.57) | RAB9AKDM4EALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL618511 | 0.75 | CHRNB2 (0.57) | RAB9AKDM4EALDH1A1CHRNB2CHRNA4 | |
| SCHEMBL24971619 | 0.74 | TRPA1 (0.41) | TRPA1RAB9AKDM4ECA1CA2 | |
| SCHEMBL5841799 | 0.74 | AAK1 (0.39) | CTSKTRPA1CA1CA2CA7 | |
| SCHEMBL5841809 | 0.74 | AAK1 (0.39) | CTSKTRPA1CA1CA2CA7 |
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-1814853-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | Targacept, Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006053039-A2 | HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS | TARGACEPT, INC. (US) | 2006-05-18 | — | — | WO | disclosed |