Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17513820 | 0.90 | ALDH1A1 (0.57) | ALDH1A1PTGS2CYP2D6CYP2C19TSHR | |
| SCHEMBL17513819 | 0.90 | ALDH1A1 (0.57) | ALDH1A1PTGS2CYP2D6CYP2C19TSHR | |
| Toluene SCHEMBL27755903 | 0.84 | FTO (0.44) | ALDH1A1CYP2D6CYP2C19TSHRTDP1 | |
| SCHEMBL13455418 | 0.81 | CA1 (0.48) | PTGS2CYP2D6CYP2C19TDP1ACHE | |
| Benzene SCHEMBL28456073 | 0.81 | PTGS2 (0.48) | ALDH1A1PTGS2CYP2D6CYP2C19CA1 | |
| SCHEMBL13667405 | 0.81 | CA1 (0.52) | ALDH1A1PTGS2TDP1RAB9AMEN1 | |
| SCHEMBL21703572 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP2D6CYP2C19TSHRTDP1 | |
| SCHEMBL13475909 | 0.81 | — | — | |
| Chlorobenzene SCHEMBL28995009 | 0.81 | ALDH1A1 (0.46) | ALDH1A1PTGS2CYP2D6TSHRTDP1 | |
| SCHEMBL17289458 | 0.79 | PTGS2 (0.47) | ALDH1A1PTGS2CYP2D6CYP2C19CA1 |
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-101372460-A | O-methylbenzene diazo amino aminoazobenzene and preparation thereof | UNIV EAST CHINA NORMAL (CN) | 2009-02-25 | — | — | CN | disclosed |