Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1025493 | 0.79 | HTT (0.53) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL29735373 | 0.79 | HTT (0.53) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL5183927 | 0.79 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL6983868 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2APOLBCYP2C19 | |
| SCHEMBL29842262 | 0.75 | NPC1 (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2HTT | |
| SCHEMBL29147704 | 0.75 | NPC1 (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2HTT | |
| Methylene Chloride SCHEMBL27826359 | 0.74 | HTT (0.52) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL362241 | 0.74 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL30410721 | 0.73 | CYP3A4 (0.52) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL30170647 | 0.73 | NOTUM (0.46) | ALDH1A1MEN1KMT2APOLBCYP2C19 |
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-1472229-A1 | 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS | Bayer HealthCare AG (DE) | 2004-11-03 | — | — | EP | disclosed |
| WO-2003064394-A1 | 5-RING HETEROCYCLES USED AS ANTIVIRAL AGENTS | BAYER HEALTHCARE AG (DE) | 2003-08-07 | — | — | WO | disclosed |