Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.37 |
| ▸ | CTSG | P08311 | 2/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.37 |
| ▸ | CMA1 | P23946 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL27853693 | 0.81 | TDP1 (0.50) | TSHRTDP1ALDH1A1MAPTNPC1 | |
| Benzonitrile SCHEMBL27730371 | 0.79 | TSHR (0.70) | TSHRMAOBMAOAALDH1A1MAPT | |
| Benzonitrile SCHEMBL28618826 | 0.79 | TSHR (0.70) | TSHRMAOBMAOAALDH1A1MAPT | |
| Benzonitrile SCHEMBL27493881 | 0.79 | TSHR (0.70) | TSHRMAOBMAOAALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL28106695 | 0.78 | TDP1 (0.81) | TSHRTDP1ALDH1A1CYP2A6 | |
| Biphenyl SCHEMBL27794837 | 0.77 | TDP1 (0.62) | TSHRTDP1CYP1A2CYP2C19KIF11 | |
| Tert-Butyl Formate SCHEMBL28266342 | 0.76 | TDP1 (0.77) | TSHRTDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28032597 | 0.75 | TDP1 (0.59) | TSHRTDP1CYP1A2CYP2C19ALDH1A1 | |
| Benzonitrile SCHEMBL27460248 | 0.74 | TSHR (0.70) | TSHRMAOBMAOAALDH1A1MAPT | |
| Benzonitrile SCHEMBL16468987 | 0.74 | TSHR (0.78) | TSHRMAOBMAOAALDH1A1MAPT |
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-108929285-A | The preparation method of Na+ molecular fluorescence intermediate and Na+ molecular fluorescence sensor | 苏州首通科技发展有限公司 | 2018-12-04 | — | — | CN | disclosed |