Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.43 |
| ▸ | DTYMK | P23919 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1202449 | 0.84 | ALDH1A1 (0.56) | HTTALDH1A1TSHRSLC25A1DTYMK | |
| Hydrogen Peroxide SCHEMBL28991385 | 0.84 | ALDH1A1 (0.56) | HTTALDH1A1TSHRSLC25A1DTYMK | |
| SCHEMBL28435633 | 0.83 | ALDH1A1 (0.55) | HTTALDH1A1TSHRSLC25A1DTYMK | |
| Hydrochloric Acid SCHEMBL9617579 | 0.83 | ALDH1A1 (0.55) | HTTALDH1A1TSHRSLC25A1DTYMK | |
| SCHEMBL1533651 | 0.82 | ALDH1A1 (0.54) | ALDH1A1TSHRSLC25A1DTYMKPOLB | |
| Propylamine SCHEMBL18093556 | 0.81 | ALDH1A1 (0.48) | HTTALDH1A1TSHRSLC25A1POLB | |
| SCHEMBL18093521 | 0.81 | ALDH1A1 (0.48) | HTTALDH1A1TSHRVCAM1HCAR3 | |
| SCHEMBL29787232 | 0.81 | CA2 (0.65) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL9795946 | 0.81 | CA2 (0.65) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL9795938 | 0.80 | VCAM1 (0.66) | HTTALDH1A1SMN1; SMN2CA12CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104059001-B | A kind of adjacent benzoic preparation method of nitro sulfuryl | 华中师范大学 | 2016-06-08 | — | — | CN | disclosed |
| EP-0447421-A1 | PREPARATION OF 2-(CHLORO, BROMO OR NITRO)-4-(ALKYLSULFONYL)BENZOIC ACIDS AND INTERMEDIATES. | ICI AMERICA INC (US) | 1991-09-25 | — | — | EP | disclosed |