Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | LYN | P07948 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712389 | 0.86 | MAPT (0.49) | ALDH1A1GAAL3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL7712364 | 0.83 | USP2 (0.45) | MAPTKMT2AMAP4K4 | |
| SCHEMBL7708592 | 0.83 | RHEB (0.42) | L3MBTL1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5202653 | 0.82 | TEAD4 (0.42) | ALDH1A1LMNAMAPTHTTXDH | |
| SCHEMBL5206240 | 0.82 | NOS1 (0.45) | LMNAXDH | |
| SCHEMBL7712501 | 0.77 | XDH (0.45) | ALDH1A1L3MBTL1LMNASMN1; SMN2MAPT | |
| SCHEMBL5204487 | 0.76 | SOS1 (0.40) | LMNAKMT2AMAP4K4 | |
| SCHEMBL7712418 | 0.75 | SMN1; SMN2 (0.41) | ALDH1A1L3MBTL1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL5207820 | 0.75 | MAPT (0.43) | MAPTXDHMAP4K4 | |
| SCHEMBL5202998 | 0.74 | LTA4H (0.57) | ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9 |
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-6440965-B1 | Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system | KRENITSKY PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |