Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.75 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL747294 | 0.97 | — | — | |
| SCHEMBL317382 | 0.91 | ALDH1A1 (0.79) | ALDH1A1LMNATDP1TSHRCYP3A4 | |
| SCHEMBL22426 | 0.88 | LMNA (0.84) | ALDH1A1LMNATSHRCYP3A4FDPS | |
| SCHEMBL9327522 | 0.86 | LMNA (0.90) | ALDH1A1LMNATSHRCYP3A4FDPS | |
| SCHEMBL6249719 | 0.86 | ALDH1A1 (1.00) | ALDH1A1LMNATDP1TSHRCYP3A4 | |
| SCHEMBL36136 | 0.86 | LMNA (0.90) | ALDH1A1LMNATSHRCYP3A4FDPS | |
| SCHEMBL9135822 | 0.86 | LMNA (0.90) | ALDH1A1LMNATSHRCYP3A4FDPS | |
| Iodide SCHEMBL9580195 | 0.86 | LMNA (0.80) | ALDH1A1LMNATSHRCYP3A4FDPS | |
| SCHEMBL21693948 | 0.86 | ALDH1A1 (0.71) | ALDH1A1LMNATDP1TSHRCYP3A4 | |
| SCHEMBL16896983 | 0.86 | ALDH1A1 (0.71) | ALDH1A1LMNATDP1TSHRCYP3A4 |
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-6444662-B1 | REACTION WITH AMINE BASE | WILLMAR SCHWABE GMBH & CO. (DE) | 2002-09-03 | — | — | US | disclosed |