Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | LMNA | P02545 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | MITF | O75030 | 2/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10854806 | 0.83 | DRD3 (0.72) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| Hydrochloric Acid SCHEMBL10896084 | 0.82 | ALDH1A1 (0.72) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL23094153 | 0.79 | SMN1; SMN2 (1.00) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL6864368 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL10851628 | 0.78 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL28859465 | 0.77 | CA1 (0.53) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| Hydrochloric Acid SCHEMBL10851947 | 0.77 | LMNA (0.95) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL28859493 | 0.76 | KIF11 (0.56) | ALDH1A1LMNASMN1; SMN2HTTMEN1 | |
| SCHEMBL13037583 | 0.75 | ALPL (0.55) | ALDH1A1LMNASMN1; SMN2MITFHIF1A | |
| SCHEMBL10256789 | 0.74 | SMN1; SMN2 (0.64) | ALDH1A1LMNASMN1; SMN2MITFHIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2198864-B1 | Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds | ALLERGAN INC (US) | 2012-03-14 | — | — | EP | disclosed |