Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3968907 | 0.79 | TSHR (0.52) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL12473755 | 0.78 | SMN1; SMN2 (0.51) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL27697871 | 0.74 | PTGDR2 (0.61) | ALDH1A1MEN1MAPTKMT2ATSHR | |
| SCHEMBL6946448 | 0.73 | TSHR (0.49) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL29145189 | 0.73 | L3MBTL1 (0.61) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL18955291 | 0.71 | APEX1 (0.73) | KDM4EALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL17627891 | 0.71 | KDM4E (0.52) | CYP1A2CYP3A4KDM4EALDH1A1MEN1 | |
| SCHEMBL31596375 | 0.71 | APEX1 (0.73) | KDM4EALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL13776647 | 0.70 | TSHR (0.51) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 | |
| SCHEMBL14300652 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6KDM4EALDH1A1 |
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-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |