Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19938067 | 1.00 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDHTT | |
| SCHEMBL28047880 | 0.83 | MEN1 (0.44) | ALDH1A1SMN1; SMN2HPGDHTTMAPT | |
| SCHEMBL19938064 | 0.83 | PLK1 (0.48) | ALDH1A1KDM4EHPGDHTTPLK1 | |
| SCHEMBL14298196 | 0.83 | CA9 (0.52) | ALDH1A1SMN1; SMN2KDM4EHPGDHTT | |
| SCHEMBL12360950 | 0.83 | CA9 (0.52) | ALDH1A1SMN1; SMN2KDM4EHPGDHTT | |
| SCHEMBL27632667 | 0.80 | NOS1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDHTT | |
| SCHEMBL19941024 | 0.80 | NOS1 (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDHTT | |
| SCHEMBL14950345 | 0.80 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2PLK1MAPTMEN1 | |
| SCHEMBL19073673 | 0.80 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2PLK1MAPTMEN1 | |
| SCHEMBL21965077 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2PLK1MAPTMEN1 |
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-6313347-B1 | BY-PRODUCT INHIBITION | BASF AKTIENGESEKKSCHAFT (DE) | 2001-11-06 | — | — | US | disclosed |