Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10421305 | 0.81 | MAOB (0.50) | CASP3TDP1L3MBTL1MAOBALDH1A1 | |
| SCHEMBL10421307 | 0.81 | MAOB (0.50) | CASP3TDP1L3MBTL1MAOBALDH1A1 | |
| SCHEMBL23830079 | 0.81 | MAOB (0.50) | CASP3TDP1L3MBTL1MAOBALDH1A1 | |
| SCHEMBL27338871 | 0.75 | CA12 (0.44) | CASP3ALDH1A1NR1H3GAACA12 | |
| SCHEMBL6329301 | 0.75 | DRD3 (0.43) | CASP3TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL5190685 | 0.75 | ALDH1A1 (0.44) | CASP3ALDH1A1GAACA12CA9 | |
| SCHEMBL2183011 | 0.75 | CASP3 (0.40) | CASP3ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL28119261 | 0.73 | CASP3 (0.55) | CASP3ALDH1A1MEN1KMT2ACA12 | |
| SCHEMBL5177139 | 0.72 | DRD3 (0.44) | CASP3ALDH1A1NR1H3NR1H2MEN1 | |
| SCHEMBL8498912 | 0.72 | CASP3 (0.44) | CASP3TDP1L3MBTL1MAOBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5698698-A | Process for preparation of N-tert.butyl-decahydro-2- 2(R)-hydroxy-4-phenyl-3(S)-phthalimidobutyl!-(4aS,8aS)-isoquinoline-3(S)-carboxamide | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5502210-A | 1H-isoindole-1,3-dione compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-03-26 | — | — | US | disclosed |