Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974823 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL7974877 | 0.82 | MAOA (0.38) | MEN1KMT2AGAACTSKMAOA | |
| SCHEMBL7963512 | 0.80 | CTSK (0.34) | CTSKMAOAMAOBITGB3ITGA2B | |
| SCHEMBL7963510 | 0.78 | MAOA (0.41) | MEN1KMT2AGAAMAOAMAOB | |
| SCHEMBL7973800 | 0.74 | CTSK (0.41) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL7963484 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1KMT2ACTSK | |
| SCHEMBL7977315 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1KMT2ACTSK | |
| SCHEMBL7974990 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL8708312 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL7977282 | 0.73 | TDP1 (0.40) | ALDH1A1MEN1KMT2AGAACTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |