Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11108392 | 0.92 | ALDH1A1 (0.43) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10424822 | 0.77 | TSHR (0.51) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21729626 | 0.77 | ALDH1A1 (0.50) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1444907 | 0.74 | ALDH1A1 (0.44) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10783810 | 0.73 | ALDH1A1 (0.40) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11202200 | 0.73 | TSHR (0.42) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10779803 | 0.73 | ALDH1A1 (0.40) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11111378 | 0.73 | ALDH1A1 (0.40) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11202811 | 0.73 | TSHR (0.44) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10780234 | 0.73 | ALDH1A1 (0.40) | TSHRALDH1A1SMN1; SMN2NPC1RAB9A |
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-0105102-A1 | 2-Aza-bicyclo(2,2,2)-octane-3-carboxylic-acid derivatives, process for their preparation, pharmaceutical preparations containing them and their application, and 2-aza-bicyclo(2,2,2)-octane-3-carboxylic acid as an intermediate and its preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-11 | — | — | EP | disclosed |