Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7945510 | 0.85 | MAPT (0.34) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL3625504 | 0.81 | MAPT (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13637183 | 0.79 | MAPT (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13637182 | 0.74 | PDE4B (0.46) | CYP3A4CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL313767 | 0.74 | MAPT (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL13090548 | 0.71 | MAPT (0.40) | CYP3A4CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL12730967 | 0.71 | APLNR (0.35) | MAPTSMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL3478924 | 0.69 | KDM4E (0.39) | MAPTSMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL3428569 | 0.69 | CYP1A1 (0.31) | CYP1A2MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL3427412 | 0.69 | PLAU (0.33) | MAPTSMN1; SMN2RAB9ANPC1ALDH1A1 |
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-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |