Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PGD | P52209 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16197573 | 0.88 | CACNA2D1 (0.38) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2437990 | 0.84 | GPR84 (0.38) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL28275188 | 0.80 | ALDH1A1 (0.41) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL13039797 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TDP1 | |
| SCHEMBL5711098 | 0.77 | — | — | |
| SCHEMBL207239 | 0.77 | — | — | |
| SCHEMBL2384804 | 0.77 | — | — | |
| SCHEMBL26580703 | 0.77 | TSHR (0.43) | ALDH1A1MAPTLMNA | |
| SCHEMBL28359088 | 0.77 | TET2 (0.45) | ALDH1A1ALOX15 | |
| SCHEMBL6512826 | 0.75 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102762541-B | Diaza derivatives as modulators of chemokine receptors | HOFFMAN-LA ROCHE LTD. (CH) | 2016-03-16 | — | — | CN | disclosed |
| CN-102947310-B | Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-103501780-B | Benzofuran-piperidine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-102958936-B | The pyridine compounds condensed | HOFFMAN-LA ROCHE LTD. (CH) | 2015-10-21 | — | — | CN | disclosed |
| CN-102112451-B | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2014-01-22 | — | — | CN | disclosed |
| CN-103501780-A | Novel benzofurane-piperidine compounds | HOFFMANN LA ROCHE | 2014-01-08 | — | — | CN | disclosed |
| CN-103261190-A | Novel benzofurane compounds | HOFFMANN LA ROCHE | 2013-08-21 | — | — | CN | disclosed |
| CN-102958936-A | Anellated pyridine compounds | HOFFMANN LA ROCHE | 2013-03-06 | — | — | CN | disclosed |
| CN-102947310-A | Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |
| CN-102762541-A | Diaza derivatives as modulators of chemokine receptors | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |