Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | KCNJ6 | P48051 | 3/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 3/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14498350 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL5262176 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL8511667 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL9269064 | 0.81 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| Hydrochloric Acid SCHEMBL1017753 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL11324205 | 0.79 | PTGDR2 (0.45) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL31721589 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL11106073 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2POLBMCL1 | |
| SCHEMBL506623 | 0.78 | CYP2D6 (0.45) | CYP2D6CA12 | |
| SCHEMBL30569427 | 0.78 | CYP2D6 (0.45) | CYP2D6CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1644343-B1 | 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | EP | disclosed |