Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 7/20 | 0.34 |
| ▸ | MAOB | P27338 | 7/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447857 | 1.00 | ALDH1A1 (0.36) | ALDH1A1MAOAMAOBMGAMSI | |
| SCHEMBL7442024 | 0.81 | MAOA (0.44) | ALDH1A1MAOAMAOBKDM1ATSHR | |
| SCHEMBL7442018 | 0.81 | MAOA (0.44) | ALDH1A1MAOAMAOBKDM1ATSHR | |
| SCHEMBL7438334 | 0.79 | — | — | |
| SCHEMBL7444026 | 0.78 | MAOA (0.39) | ALDH1A1MAOAMAOBMGAMSI | |
| SCHEMBL7434413 | 0.78 | MAOA (0.39) | ALDH1A1MAOAMAOBMGAMSI | |
| SCHEMBL7444576 | 0.75 | LMNA (0.38) | ALDH1A1MAOAMAOBKDM1ATSHR | |
| SCHEMBL12358688 | 0.67 | FUCA1 (0.50) | ALDH1A1TSHRGAAFUCA1 | |
| SCHEMBL27670530 | 0.67 | HSD11B1 (0.40) | ALDH1A1MAOAMAOBKDM1AHSD11B1 | |
| SCHEMBL18497958 | 0.64 | GLB1 (0.35) | ALDH1A1MAOAMAOBKDM1ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641306-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-08 | — | — | EP | claimed |
| WO-1992021647-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-10 | — | — | WO | claimed |
| EP-0641306-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1992021647-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-10 | — | — | WO | disclosed |