Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | PMM2 | O15305 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28804472 | 0.85 | PARP1 (0.49) | GAAALDH1A1HPGDRAB9AKMT2A | |
| SCHEMBL16542508 | 0.85 | ALDH1A1 (0.54) | GAAALDH1A1HPGDRAB9AKDM4E | |
| SCHEMBL9108147 | 0.85 | GAA (0.51) | GAATP53ALDH1A1HPGDPMM2 | |
| SCHEMBL9108138 | 0.85 | GAA (0.51) | GAATP53ALDH1A1HPGDPMM2 | |
| SCHEMBL16480412 | 0.84 | MEN1 (0.57) | TP53ALDH1A1RAB9ATSHRKDM4E | |
| SCHEMBL9891738 | 0.84 | GAA (0.50) | GAATP53ALDH1A1HPGDPMM2 | |
| SCHEMBL9893022 | 0.84 | GAA (0.50) | GAATP53ALDH1A1HPGDPMM2 | |
| SCHEMBL16480488 | 0.82 | PMM2 (0.45) | TP53ALDH1A1HPGDPMM2MPI | |
| SCHEMBL16480394 | 0.76 | KMT2A (0.48) | GAAALDH1A1TSHRKDM4EKMT2A | |
| SCHEMBL1937222 | 0.75 | DDB1 (0.44) | ALDH1A1KDM4EKMT2AL3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |