Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL10802247 | 1.00 | ACHE (0.65) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL10710211 | 0.97 | ACHE (0.69) | ACHELMNATSHRALOX12TDP1 | |
| Benzenethiol SCHEMBL6553066 | 0.94 | ACHE (0.56) | ACHELMNATSHRALOX12TDP1 | |
| P-Xylene SCHEMBL29155380 | 0.91 | ACHE (0.59) | ACHELMNATSHRALOX12TDP1 | |
| Biphenyl SCHEMBL7263262 | 0.89 | ACHE (0.50) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL2716936 | 0.89 | LMNA (0.58) | ACHELMNATSHRALOX12TDP1 | |
| Toluene SCHEMBL29098233 | 0.88 | ACHE (0.65) | ACHELMNATSHRALOX12TDP1 | |
| SCHEMBL72612 | 0.87 | — | — | |
| Toluene SCHEMBL1057886 | 0.85 | ACHE (0.55) | ACHELMNATSHRALOX12TDP1 | |
| SCHEMBL1995481 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026054-A | substituted benzotriazole phenol | 3M创新有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-108026327-A | Polymeric matrix with ionic additive | 3M创新有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107849449-A | Substituted benzotriazole phenolates and antioxidant compositions formed therefrom | 3M创新有限公司 | 2018-03-27 | — | — | CN | disclosed |