Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10431760 | 0.79 | NPC1 (0.48) | NPC1ALDH1A1MAPTHTTGAA | |
| SCHEMBL27951171 | 0.73 | ALDH1A1 (0.38) | NPC1ALDH1A1MAPTHTTGAA | |
| SCHEMBL16542483 | 0.72 | SMN1; SMN2 (0.49) | ALDH1A1MAPTTSHRLMNAL3MBTL1 | |
| SCHEMBL27368338 | 0.70 | POLB (0.41) | NPC1ALDH1A1MAPTGAACA12 | |
| SCHEMBL1273792 | 0.68 | FOLH1 (0.41) | NPC1ALDH1A1MAPTGAAHSD17B10 | |
| SCHEMBL3569733 | 0.68 | CNR1 (0.50) | NPC1ALDH1A1MAPTCYP2C19CNR1 | |
| SCHEMBL24289831 | 0.68 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL28435274 | 0.67 | CA2 (0.45) | NPC1ALDH1A1MAPTGAAHSD17B10 | |
| SCHEMBL11200402 | 0.67 | NPC1 (0.41) | NPC1ALDH1A1MAPTGAAHSD17B10 | |
| SCHEMBL4530051 | 0.67 | ROCK2 (0.52) | NPC1MAPTHTTLMNAKDM4E |
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-2010077836-A2 | PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-07-08 | — | — | WO | disclosed |