Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2945182 | 0.88 | POLB (0.54) | CYP3A4L3MBTL1ALDH1A1HPGDKMT2A | |
| SCHEMBL4072785 | 0.83 | L3MBTL1 (0.57) | CYP3A4L3MBTL1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4417208 | 0.81 | L3MBTL1 (0.49) | CYP3A4L3MBTL1ALDH1A1HPGDKMT2A | |
| SCHEMBL11466132 | 0.79 | L3MBTL1 (0.45) | CYP3A4L3MBTL1ALDH1A1KMT2AEPHX1 | |
| SCHEMBL10476875 | 0.79 | HPGD (0.66) | CYP3A4ALDH1A1CYP1A2CYP2C19HPGD | |
| SCHEMBL1372488 | 0.78 | ALDH1A1 (0.53) | CYP3A4L3MBTL1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL808798 | 0.78 | RAB9A (0.48) | CYP3A4L3MBTL1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL1191120 | 0.76 | GAA (0.54) | ALDH1A1HPGDKMT2ASMN1; SMN2NPC1 | |
| SCHEMBL28877123 | 0.76 | CYP3A4 (0.60) | CYP3A4ALDH1A1KMT2AEPHX1EPHX2 | |
| SCHEMBL11006722 | 0.76 | CYP3A4 (0.54) | CYP3A4L3MBTL1ALDH1A1KMT2AEPHX1 |
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-7160902-B2 | Amide derivatives and methods of their use | ADOLOR CORPORATION (US) | 2007-01-09 | — | — | US | disclosed |