Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9771536 | 0.77 | IDO1 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL4775938 | 0.77 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A | |
| SCHEMBL5188701 | 0.77 | MAPT (0.44) | ALDH1A1LMNARELAKMT2AIDO1 | |
| SCHEMBL7456881 | 0.76 | HPGD (0.50) | CYP3A4CYP2D6NFKB1ALDH1A1LMNA | |
| SCHEMBL11558512 | 0.76 | ACP3 (0.44) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL4970732 | 0.74 | MAPT (0.36) | CYP3A4ALDH1A1LMNAKMT2AMAOB | |
| SCHEMBL1010013 | 0.74 | HSP90AA1 (0.41) | CYP1A2CYP3A4CYP2D6ALDH1A1KMT2A | |
| SCHEMBL1515694 | 0.74 | ACP3 (0.56) | CYP1A2CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL4746137 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL7097655 | 0.72 | NFE2L2 (0.44) | CYP3A4ALDH1A1LMNANFE2L2RELA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008123821-A1 | 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-10-16 | — | — | WO | disclosed |