Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27527850 | 0.85 | THRB (0.36) | SMN1; SMN2THRBALDH1A1TDP1CYP3A4 | |
| Phenol SCHEMBL6931537 | 0.84 | THRB (0.40) | NPC1RAB9ATHRBALDH1A1TDP1 | |
| Toluene SCHEMBL3759688 | 0.84 | THRB (0.40) | THRBALDH1A1TDP1CYP3A4CYP2C9 | |
| Bromobenzene SCHEMBL28196664 | 0.83 | ALDH1A1 (0.46) | NPC1RAB9ARECQLSMN1; SMN2ALDH1A1 | |
| Benzene SCHEMBL28161005 | 0.83 | THRB (0.35) | SMN1; SMN2THRBALDH1A1TDP1CYP3A4 | |
| Styrene SCHEMBL6903124 | 0.83 | ALDH1A1 (0.48) | THRBALDH1A1TDP1CYP3A4CYP2C9 | |
| Fluorobenzene SCHEMBL28079208 | 0.83 | THRB (0.39) | NPC1RAB9ATHRBALDH1A1TDP1 | |
| Toluene SCHEMBL28163624 | 0.83 | THRB (0.39) | THRBALDH1A1TDP1CYP3A4CYP2C9 | |
| Chlorobenzene SCHEMBL28079345 | 0.83 | XPO1 (0.40) | THRBALDH1A1TDP1CYP3A4CYP2C9 | |
| Styrene SCHEMBL5008696 | 0.83 | ALDH1A1 (0.48) | THRBALDH1A1TDP1CYP3A4CYP2C9 |
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-105330557-A | Preparation method of chiral alpha-amino acid | TONGJING OPTOELECTRONICS TECHNOLOGY CO LTD | 2016-02-17 | — | — | CN | disclosed |