Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL30890711 | 0.81 | MAPT (0.58) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL12657665 | 0.81 | ALDH1A1 (0.58) | ALDH1A1MAPTTP53MAPK10MEN1 | |
| SCHEMBL27856323 | 0.77 | ALDH1A1 (0.69) | ALDH1A1MAPTTP53MAPK10MEN1 | |
| SCHEMBL21568085 | 0.77 | ALDH1A1 (0.67) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL7951644 | 0.74 | ALDH1A1 (0.64) | ALDH1A1MAPTTP53MEN1KMT2A | |
| SCHEMBL6936299 | 0.73 | ALDH1A1 (0.49) | ALDH1A1MAPTTP53MAPK10MEN1 | |
| SCHEMBL1091812 | 0.73 | ALDH1A1 (1.00) | ALDH1A1MAPTMEN1KMT2ARAB9A | |
| SCHEMBL13700872 | 0.71 | ALDH1A1 (0.60) | ALDH1A1MAPTTP53MAPK10MEN1 | |
| SCHEMBL2200065 | 0.71 | PTPN1 (0.61) | ALDH1A1MAPTMEN1KMT2ARAB9A | |
| Hydrochloric Acid SCHEMBL28052565 | 0.71 | ALDH1A1 (0.95) | ALDH1A1MAPTTP53MAPK10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | disclosed |