Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CASP1 | P29466 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6893824 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CASP1RAB9AGAAPPARG | |
| SCHEMBL2521739 | 0.94 | RAB9A (0.49) | ALDH1A1CASP1RAB9AGAAPPARG | |
| SCHEMBL18782427 | 0.89 | PPARG (0.51) | ALDH1A1RAB9AGAAPPARGMEN1 | |
| SCHEMBL15233717 | 0.89 | PPARG (0.51) | ALDH1A1RAB9AGAAPPARGMEN1 | |
| SCHEMBL2525916 | 0.89 | PPARG (0.51) | ALDH1A1RAB9AGAAPPARGMEN1 | |
| SCHEMBL13337315 | 0.89 | GAA (0.52) | ALDH1A1RAB9AGAAPPARGMEN1 | |
| SCHEMBL8539672 | 0.88 | ITGB3 (0.53) | ALDH1A1RAB9AGAAMEN1LMNA | |
| SCHEMBL2523784 | 0.88 | ITGB3 (0.53) | ALDH1A1RAB9AGAAMEN1LMNA | |
| SCHEMBL6894612 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CASP1KMT2ANOS3NOS1 | |
| SCHEMBL6894608 | 0.87 | ALDH1A1 (0.54) | ALDH1A1CASP1KMT2ANOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6797819-B1 | Alkaloids | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-09-28 | — | — | US | disclosed |