Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4632276 | 0.76 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19L3MBTL1 | |
| SCHEMBL6980112 | 0.75 | FAAH (0.46) | CTSKALDH1A1SMN1; SMN2CYP2C19L3MBTL1 | |
| SCHEMBL6980108 | 0.75 | FAAH (0.46) | CTSKALDH1A1SMN1; SMN2CYP2C19L3MBTL1 | |
| SCHEMBL11083100 | 0.72 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1TSHRTDP1MEN1 | |
| SCHEMBL29582426 | 0.71 | KDM4E (0.47) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19TSHR | |
| SCHEMBL10455773 | 0.71 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TSHRLMNAMEN1 | |
| SCHEMBL11782335 | 0.71 | BCHE (0.58) | ALDH1A1L3MBTL1TSHRTDP1LMNA | |
| SCHEMBL21359114 | 0.71 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19L3MBTL1 | |
| SCHEMBL29256396 | 0.70 | ASAH1 (0.49) | ALDH1A1HPGDASAH1KDM4EHSD17B10 | |
| SCHEMBL31114120 | 0.70 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1 |
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-0046711-B1 | FLUORINATED AMINO-BUTYRIC ACID AND DIAMINOBUTANE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-09-05 | — | — | EP | disclosed |
| EP-0046711-A1 | Fluorinated amino-butyric acid and diaminobutane derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |