Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13683103 | 0.85 | CYP2D6 (0.47) | ALDH1A1GAANPC1POLBGFER | |
| SCHEMBL13184331 | 0.83 | P2RX3 (0.41) | ALDH1A1GAANPC1POLBGFER | |
| SCHEMBL16200313 | 0.81 | PGK1 (0.41) | ALDH1A1GAANPC1POLBGFER | |
| SCHEMBL16200299 | 0.79 | SMN1; SMN2 (0.41) | ALDH1A1GAAKMT2AMEN1LMNA | |
| SCHEMBL16200318 | 0.78 | ACACB (0.43) | ALDH1A1NPC1TAS1R3TAS1R1KMT2A | |
| SCHEMBL13178807 | 0.77 | GAA (0.46) | GAANPC1POLBGFERLMNA | |
| SCHEMBL16200302 | 0.77 | GAA (0.41) | ALDH1A1GAANPC1POLBGFER | |
| SCHEMBL16200317 | 0.75 | LMNA (0.39) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL13178817 | 0.75 | GLA (0.41) | ALDH1A1GAANPC1POLBGFER | |
| SCHEMBL13178784 | 0.73 | GAA (0.46) | ALDH1A1GAANPC1POLBGFER |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |