Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDH1 | P12830 | 1/20 | 0.81 |
| ▸ | APC | P25054 | 1/20 | 0.81 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.81 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | GAA | P10253 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.55 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.55 |
| ▸ | DHODH | Q02127 | 6/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18257900 | 0.90 | CDH1 (1.00) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL15665964 | 0.87 | ALDH1A1 (0.79) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL17996846 | 0.87 | ALDH1A1 (0.79) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL15665468 | 0.86 | CDH1 (0.91) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL10211177 | 0.85 | CDH1 (0.59) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL29893591 | 0.83 | KDM4E (0.63) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL15666702 | 0.81 | ALDH1A1 (1.00) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL4348032 | 0.80 | TDP1 (1.00) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL31133324 | 0.80 | TDP1 (1.00) | CDH1APCCTNNB1TCF7L2ALDH1A1 | |
| SCHEMBL18082989 | 0.79 | KDM4E (0.57) | CDH1APCCTNNB1TCF7L2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |
| EP-2661428-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012087861-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |