Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9631 | 0.88 | PTGS1 (0.40) | ALDH1A1SMN1; SMN2KDM4EKMT2AL3MBTL1 | |
| SCHEMBL9974 | 0.77 | LPAR1 (0.40) | ALDH1A1SMN1; SMN2KDM4EKMT2AL3MBTL1 | |
| SCHEMBL27915165 | 0.74 | TSHR (0.43) | ALDH1A1SMN1; SMN2KDM4ELMNAHPGD | |
| SCHEMBL6188617 | 0.73 | GRIA4 (0.50) | ALDH1A1KMT2AL3MBTL1LMNAMEN1 | |
| SCHEMBL13653511 | 0.72 | AKR1C3 (0.50) | ALDH1A1SMN1; SMN2KDM4EKMT2AL3MBTL1 | |
| SCHEMBL7358 | 0.70 | LPAR1 (0.40) | ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1 | |
| SCHEMBL9632 | 0.70 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPT | |
| SCHEMBL1625348 | 0.69 | LMNA (0.55) | ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA | |
| Methylamine SCHEMBL11586903 | 0.69 | MMP8 (0.54) | SMN1; SMN2KMT2ALMNAMEN1NPC1 | |
| SCHEMBL10756249 | 0.69 | MMP8 (0.57) | SMN1; SMN2KMT2ALMNAMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |