Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18570092 | 0.86 | ALDH1A1 (0.40) | NPSR1MAPTMEN1NPC1ALDH1A1 | |
| SCHEMBL1922073 | 0.82 | NPSR1 (0.72) | NPSR1MAPTMEN1ALDH1A1KMT2A | |
| SCHEMBL20180549 | 0.80 | EGFR (0.47) | MEN1ALDH1A1HPGDKMT2AEGFR | |
| SCHEMBL22927248 | 0.80 | CYP3A4 (0.55) | MAPTMEN1NPC1ALDH1A1RAB9A | |
| SCHEMBL29940289 | 0.80 | MAPT (0.50) | NPSR1MAPTMEN1NPC1ALDH1A1 | |
| SCHEMBL3690304 | 0.77 | NPSR1 (0.64) | NPSR1MAPTAKR1C3AKR1C2CYP1A2 | |
| SCHEMBL10144178 | 0.76 | MAPT (0.50) | NPSR1MAPTMEN1NPC1ALDH1A1 | |
| SCHEMBL22567144 | 0.76 | KMT2A (0.59) | MAPTMEN1NPC1ALDH1A1HPGD | |
| SCHEMBL6131407 | 0.75 | RAPGEF4 (0.54) | — | |
| SCHEMBL21000442 | 0.74 | NPSR1 (0.60) | NPSR1MAPTMEN1NPC1ALDH1A1 |
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-2017136403-A1 | HEPATITIS B ANTIVIRAL AGENTS | ENANTA PHARMACEUTICALS, INC. (US) | 2017-08-10 | — | — | WO | disclosed |