Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SDHB | P21912 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31287948 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8723515 | 0.87 | SLC6A2 (0.43) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8665887 | 0.84 | ALDH1A1 (0.62) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8669893 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8670000 | 0.84 | LMNA (0.55) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8665226 | 0.84 | SDHB (0.58) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8666828 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8666413 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8665287 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTNPSR1LMNA | |
| SCHEMBL8669831 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTNPSR1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0700391-B1 | HERBICIDAL COMPOUNDS | SHELL INT RESEARCH (NL) | 1998-10-21 | — | — | EP | disclosed |
| US-5759956-A | PYRAZINE CARBOXAMIDE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0700391-A1 | HERBICIDAL COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027974-A1 | HERBICIDAL COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-12-08 | — | — | WO | disclosed |