Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL71630 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL29274502 | 0.81 | TSHR (0.50) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL3804192 | 0.81 | TSHR (0.50) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL9055171 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL23702718 | 0.77 | TSHR (0.42) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL28389450 | 0.77 | CA1 (0.44) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL1313885 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| SCHEMBL30106730 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| 1,2-Dichlorobenzene SCHEMBL28852872 | 0.76 | TSHR (0.59) | ALDH1A1MEN1KMT2ATDP1TSHR | |
| Formic Acid SCHEMBL29776200 | 0.75 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ATDP1SMN1; SMN2 |
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-105542584-B | A kind of thermal sensation fluorine carbon functional paint and preparation method containing azobenzene/carbon hybrid material | 天津大学 | 2018-04-03 | — | — | CN | disclosed |