Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 9/20 | 0.45 |
| ▸ | MAOA | P21397 | 6/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15804016 | 0.84 | ALDH1A1 (0.54) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL8507243 | 0.81 | CA12 (0.49) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL10187829 | 0.81 | GSTP1 (0.49) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL8645925 | 0.80 | CA12 (0.52) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL5704167 | 0.79 | CA12 (0.63) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL19543259 | 0.78 | NQO1 (0.64) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL24805910 | 0.78 | CA12 (0.46) | CA12CA4CA9CA1GSTP1 | |
| Hydrochloric Acid SCHEMBL21694040 | 0.77 | CA12 (0.61) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL6942473 | 0.76 | AKR1C3 (0.50) | CA12CA4CA9CA1GSTP1 | |
| SCHEMBL12765585 | 0.76 | AKR1C3 (0.50) | CA12CA4CA9CA1GSTP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6828040-B2 | For use as bipolar separator plate in fuel cells | INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) | 2004-12-07 | — | — | US | disclosed |
| US-20030099847-A1 | Multi-layers coating for protecting metallic substrates | INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) | 2003-05-29 | — | — | US | disclosed |