Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11275122 | 0.85 | CA1 (0.50) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL14570072 | 0.83 | TDP1 (0.53) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL5835670 | 0.83 | CA12 (0.69) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL5835673 | 0.83 | CA12 (0.69) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL698449 | 0.83 | TDP1 (0.53) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL6057172 | 0.82 | CA12 (0.68) | ALDH1A1ALOX15USP2TSHRPDCD1 | |
| SCHEMBL582407 | 0.82 | TSHR (0.64) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL15253339 | 0.82 | TSHR (0.64) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL15253524 | 0.82 | TSHR (0.64) | ALDH1A1TSHRPDCD1CD274CA12 | |
| SCHEMBL696766 | 0.81 | TPMT (0.47) | ALDH1A1ALOX15TSHRCA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2423211-B1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | KANEKA CORP (JP) | 2014-04-16 | — | — | EP | disclosed |
| EP-2423211-A1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | Kaneka Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |