Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 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 | |
|---|---|---|---|---|
| SCHEMBL21296309 | 0.80 | HPGD (0.63) | HPGDNPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL18130511 | 0.77 | PKM (0.46) | ALDH1A1HPGDMAPTAKR1C2AKR1C1 | |
| SCHEMBL9335696 | 0.77 | LMNA (0.47) | ALDH1A1HPGDMAPTLMNANPC1 | |
| SCHEMBL7447850 | 0.77 | SLC6A2 (0.48) | ALDH1A1AKR1C2AKR1C1RAB9ASMN1; SMN2 | |
| SCHEMBL30566926 | 0.76 | DTYMK (0.62) | APEX1ALDH1A1AKR1C2AKR1C1LMNA | |
| SCHEMBL1228589 | 0.76 | DTYMK (0.62) | APEX1ALDH1A1AKR1C2AKR1C1LMNA | |
| SCHEMBL15206115 | 0.75 | APEX1 (0.61) | APEX1ALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL13025484 | 0.74 | DTYMK (0.56) | ALDH1A1HPGDMAPTLMNASIRT5 | |
| SCHEMBL9336044 | 0.74 | SIRT5 (0.39) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL10489202 | 0.73 | HPGD (0.58) | ALDH1A1HPGDMAPTLMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428754-B | Bicyclic quinazolinone derivatives | 豪夫迈·罗氏有限公司 | 2020-07-31 | — | — | CN | disclosed |