Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FHIT | P49789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL998650 | 0.72 | NPSR1 (0.35) | ALDH1A1GAAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL7527896 | 0.66 | TSHR (0.35) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL6180556 | 0.64 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTHPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27665005 | 0.64 | TSHR (0.34) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL27599189 | 0.64 | TSHR (0.34) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL4014679 | 0.63 | — | — | |
| SCHEMBL28187319 | 0.59 | ALDH1A1 (0.41) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL360446 | 0.59 | TSHR (0.40) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL4771331 | 0.58 | TSHR (0.35) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL27614778 | 0.58 | BCHE (0.44) | ALDH1A1GAAMAPTSMN1; SMN2LMNA |
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 |