Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL10349755 | 0.93 | ALDH1A1 (0.56) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL29233113 | 0.91 | KDM4E (0.54) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL18725587 | 0.90 | TRPA1 (0.50) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL27537729 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL4080689 | 0.88 | TRPA1 (0.48) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL28747710 | 0.85 | TRPA1 (0.50) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL6566573 | 0.85 | TRPA1 (0.50) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL10495968 | 0.85 | TRPA1 (0.55) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| Orthocresol SCHEMBL27885292 | 0.85 | TRPA1 (0.55) | ALDH1A1HPGDHSD17B10KDM4EMAPT | |
| O-Xylene SCHEMBL8469340 | 0.85 | TSHR (0.59) | ALDH1A1HPGDHSD17B10KDM4EMAPT |
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-105061232-A | Preparation method for red base B | XIANGSHUI HENRYDA TECH CHEMICAL CO LTD | 2015-11-18 | — | — | CN | disclosed |