Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP5 | P51878 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31010361 | 0.98 | ALDH1A1 (0.70) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL8974017 | 0.94 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL17048623 | 0.93 | ALDH1A1 (0.59) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL545692 | 0.88 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL10104420 | 0.88 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL29967920 | 0.88 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL545978 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| Hydrochloric Acid SCHEMBL30349712 | 0.86 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL13960087 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL7812427 | 0.85 | CHKA (0.68) | ALDH1A1KDM4EGAACASP1CASP5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7081463-B2 | Hydroxy alkyl substituted 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-07-25 | — | — | US | disclosed |