Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL153531 | 0.96 | HSD17B10 (0.50) | ALDH1A1HSD17B10MAOAMAOBTAAR1 | |
| SCHEMBL31168188 | 0.96 | HSD17B10 (0.50) | ALDH1A1HSD17B10MAOAMAOBTAAR1 | |
| SCHEMBL5703623 | 0.89 | MAOA (0.50) | ALDH1A1HSD17B10MAOAMAOBTAAR1 | |
| SCHEMBL29638163 | 0.87 | HSD17B10 (0.48) | ALDH1A1HSD17B10MAOATAAR1CYP3A4 | |
| SCHEMBL28130162 | 0.87 | HSD17B10 (0.48) | ALDH1A1HSD17B10MAOATAAR1CYP3A4 | |
| SCHEMBL16178332 | 0.87 | HSD17B10 (0.48) | ALDH1A1HSD17B10MAOATAAR1CYP3A4 | |
| SCHEMBL30321470 | 0.86 | MEN1 (0.46) | ALDH1A1HSD17B10MAOAMAOBTAAR1 | |
| SCHEMBL21046677 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HSD17B10MAOAMAOBMAPT | |
| Hydrochloric Acid SCHEMBL1645389 | 0.85 | MEN1 (0.45) | ALDH1A1HSD17B10MAOAMAOBTAAR1 | |
| SCHEMBL27549764 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HSD17B10MAOAMAOBTAAR1 |
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-102076813-B | Organic electroluminescent device | MERCK PATENT GMBH (DE) | 2016-05-18 | — | — | CN | disclosed |