Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566224 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL8292169 | 0.83 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL2523099 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL7309272 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL9115868 | 0.81 | RNASEH1 (0.53) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL27233076 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL12465067 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL13447864 | 0.78 | RNASEH1 (0.52) | ALDH1A1KDM4EHPGDCYP1A2MAPT | |
| SCHEMBL19116493 | 0.76 | HDAC4 (0.40) | ALDH1A1KDM4EHPGDCYP1A2HTT | |
| SCHEMBL9310219 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDCYP1A2HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | disclosed |