Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL854476 | 0.77 | SIRT6 (0.49) | ALDH1A1SCN2AMAPTKMT2AMEN1 | |
| SCHEMBL3978598 | 0.77 | ALDH1A1 (0.53) | ALDH1A1SCN2AMAPTKMT2AMEN1 | |
| SCHEMBL10643664 | 0.76 | SCN2A (0.54) | ALDH1A1SCN2AMAPTKMT2AMEN1 | |
| SCHEMBL5314298 | 0.76 | ENPP2 (0.41) | ALDH1A1SCN2AMAPTPOLB | |
| 4-Nitroaniline SCHEMBL16451 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1PKM | |
| 4-Nitroaniline SCHEMBL27963818 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1PKM | |
| SCHEMBL9065915 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1PKM | |
| 4-Nitroaniline SCHEMBL13529022 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1PKM | |
| SCHEMBL2557016 | 0.72 | SCN2A (0.58) | ALDH1A1SCN2AMAPTKMT2AMEN1 | |
| 4-Nitroaniline SCHEMBL29077543 | 0.71 | ALDH1A1 (0.86) | ALDH1A1MAPTKMT2AMEN1PKM |
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-1907385-A4 | COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1907385-A2 | COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007018941-A2 | PYRIMIDYL-THIOPHENE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |