Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4087510 | 1.00 | ALDH1A1 (0.42) | ALDH1A1ALOX15LMNAMEN1KMT2A | |
| SCHEMBL8448930 | 0.85 | HPGD (0.43) | ALDH1A1LMNAMEN1KMT2AUTS2R | |
| SCHEMBL21401236 | 0.82 | SLC6A2 (0.46) | ALDH1A1ALOX15LMNAMEN1KMT2A | |
| SCHEMBL4087799 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNAUTS2RKDM4E | |
| SCHEMBL4078629 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ALOX15LMNAUTS2RKDM4E | |
| SCHEMBL13900893 | 0.76 | NPC1 (0.38) | ALDH1A1LMNAMEN1KMT2ASLC6A2 | |
| SCHEMBL21102465 | 0.74 | SLC6A4 (0.46) | ALDH1A1ALOX15MEN1KMT2ASLC6A2 | |
| SCHEMBL20917118 | 0.71 | CACNA2D1 (0.48) | KMT2ASLC6A2NPC1RAB9A | |
| SCHEMBL30438633 | 0.71 | CACNA2D1 (0.48) | KMT2ASLC6A2NPC1RAB9A | |
| SCHEMBL21102467 | 0.70 | SLC6A2 (0.44) | KMT2ASLC6A2SLC6A4SLC6A3 |
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-2060559-A1 | Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers | Cadila Pharmaceuticals Limited (IN) | 2009-05-20 | — | — | EP | disclosed |
| EP-2060559-A1 | Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers | Cadila Pharmaceuticals Limited (IN) | 2009-05-20 | — | — | EP | disclosed |