Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20692333 | 0.83 | MAPK1 (0.37) | ALDH1A1MAPK1CYP3A4TSHR | |
| SCHEMBL5168911 | 0.79 | NPC1 (0.65) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL18560248 | 0.79 | NPC1 (0.47) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL7514361 | 0.79 | ALDH1A1 (0.49) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL28167886 | 0.79 | KDM4E (0.46) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL10516600 | 0.78 | NPC1 (0.41) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL10739081 | 0.78 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL1740016 | 0.76 | NPC1 (0.52) | NPC1RAB9AALDH1A1MAPTMAPK1 | |
| SCHEMBL5172043 | 0.75 | POLB (0.56) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL9808095 | 0.75 | NPC1 (0.55) | NPC1RAB9AALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-115724706-B | Method for rapidly converting aldehyde group into cyano group | 中国科学院兰州化学物理研究所 | 2024-04-12 | — | — | CN | disclosed |
| US-4584144-A | Monomeric thioloesterification of 1,3-alkadiene | CELANESE CORPORATION (US) | 1986-04-22 | — | — | US | disclosed |