Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5059613 | 0.86 | ALDH1A1 (0.69) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL5065806 | 0.85 | ALDH1A1 (0.69) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL5059902 | 0.85 | ALDH1A1 (0.78) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL7225070 | 0.83 | ALDH1A1 (0.72) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL5056246 | 0.78 | ALDH1A1 (0.69) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL5513707 | 0.78 | ALDH1A1 (0.68) | ALDH1A1GAALMNAKDM4ECYP3A4 | |
| SCHEMBL5055449 | 0.78 | ALDH1A1 (0.74) | ALDH1A1GAALMNAKDM4ECYP3A4 | |
| SCHEMBL5056153 | 0.78 | CYP3A4 (0.62) | ALDH1A1GAALMNAKDM4ENPSR1 | |
| SCHEMBL6506556 | 0.77 | ALDH1A1 (0.70) | ALDH1A1GAALMNAKDM4ECYP3A4 | |
| SCHEMBL5055962 | 0.77 | SMN1; SMN2 (0.65) | ALDH1A1GAALMNAKDM4ECYP3A4 |
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-6541476-B1 | Treating multiple sclerosis or encephalomyelitis in a human | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-04-01 | — | — | US | disclosed |