Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25543155 | 0.98 | NPC1 (0.46) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL25543628 | 0.96 | NPC1 (0.45) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL25543825 | 0.93 | NPC1 (0.43) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL9603967 | 0.92 | NPC1 (0.55) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL25543239 | 0.92 | NPC1 (0.41) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL9603977 | 0.91 | NPC1 (0.54) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL25544169 | 0.91 | NPC1 (0.40) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL29298113 | 0.89 | KDM4E (0.41) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL29297938 | 0.89 | NPC1 (0.42) | NPC1KDM4EALDH1A1HPGDTP53 | |
| SCHEMBL25543324 | 0.89 | NPC1 (0.41) | NPC1KDM4EALDH1A1HPGDTP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021085817-A2 | TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 랩토 | 2021-05-06 | — | — | WO | disclosed |