Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362466 | 0.84 | GABRA1 (0.61) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL29900352 | 0.84 | GABRA1 (0.61) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL8985122 | 0.78 | GABRA1 (0.50) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL170787 | 0.77 | DPP4 (0.54) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL6537109 | 0.77 | GABRA1 (0.59) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL29763626 | 0.77 | GABRA1 (0.56) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL173300 | 0.77 | GABRA1 (0.56) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| SCHEMBL28758160 | 0.75 | DPP4 (0.52) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| Water SCHEMBL821345 | 0.75 | DPP4 (0.52) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 | |
| Biphenyl SCHEMBL7928631 | 0.75 | DPP4 (0.52) | GABRA1GABRB2KDM4EALDH1A1AKR1B1 |
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-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | claimed |