Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20146334 | 0.82 | GSK3B (0.45) | GSK3BMAOAMAOB | |
| SCHEMBL12318444 | 0.80 | PTPN1 (0.54) | CA1CA2ALOX15ALDH1A1 | |
| SCHEMBL2175225 | 0.78 | PTPN1 (0.56) | MAOAMAOBCES2CES1CA1 | |
| SCHEMBL5178198 | 0.78 | MAOA (0.47) | GSK3BMAOAMAOBCES2CES1 | |
| SCHEMBL13261924 | 0.78 | MAOA (0.43) | GSK3BMAOAMAOBCES2CES1 | |
| SCHEMBL991358 | 0.78 | GSK3B (0.56) | GSK3BMAOAMAOBCES2CES1 | |
| SCHEMBL250821 | 0.77 | PTPN1 (0.52) | GSK3BMAOAMAOBCES2CES1 | |
| SCHEMBL20716158 | 0.75 | ALDH1A1 (0.48) | GSK3BCYP2A6ALDH1A1 | |
| SCHEMBL13963146 | 0.75 | PTPN1 (0.59) | GSK3BMAOAMAOBALDH1A1 | |
| SCHEMBL5134898 | 0.75 | MAOA (0.41) | GSK3BMAOAMAOBCES2CES1 |
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-3438106-A1 | ANTI-VIRAL COMPOUNDS | AbbVie Ireland Unlimited Company (IE) | 2019-02-06 | — | — | EP | disclosed |
| WO-2011103063-A1 | THERAPEUTIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-08-25 | — | — | WO | disclosed |