Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 7/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537566 | 0.89 | MAOA (0.67) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL8162675 | 0.89 | CES1 (0.61) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL4312831 | 0.84 | CES1 (0.46) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL44496 | 0.82 | CES1 (0.90) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL29437756 | 0.82 | CES1 (0.90) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL29408351 | 0.82 | CES1 (0.90) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL7414557 | 0.77 | MAPT (0.56) | MAOATDP1MAOBMAPK14AKR1B1 | |
| SCHEMBL13712393 | 0.77 | CES1 (1.00) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL476341 | 0.76 | CES1 (0.46) | CES1MAOAL3MBTL1TDP1MAOB | |
| SCHEMBL1451149 | 0.76 | PBRM1 (0.44) | CES1MAOAMAOBCYP2A6CYP11B2 |
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-6043247-A | A SUBSTITUTED ACRYLIC ACIDS FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, AND PURIFICATION OF PROTEINS OR GLYCOPROTEINS, AND TO THEIR USE IN DIAGNOSIS | NOVO NORDISK A/S (DK) | 2000-03-28 | — | — | US | disclosed |
| WO-1997039748-A1 | MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS | NOVO NORDISK A/S (DK) | 1997-10-30 | — | — | WO | disclosed |