Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| (Ethenylsulfonyl)Benzene SCHEMBL1331367 | 0.75 | TLR9 (0.58) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| (Ethenylsulfonyl)Benzene SCHEMBL1332952 | 0.75 | TLR9 (0.58) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| (Ethenylsulfonyl)Benzene SCHEMBL45672 | 0.75 | TLR9 (0.58) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| Butadiene SCHEMBL21933110 | 0.71 | TSHR (0.76) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| (Phenylsulfonyl)Benzene SCHEMBL28134917 | 0.71 | HTR6 (0.67) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| (Phenylsulfonyl)Benzene SCHEMBL5346239 | 0.70 | HTR6 (0.74) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| Propene SCHEMBL436529 | 0.70 | TSHR (0.73) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| Propene SCHEMBL6243344 | 0.70 | TSHR (0.73) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| SCHEMBL28810412 | 0.70 | TSHR (0.73) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 | |
| SCHEMBL30955955 | 0.70 | TSHR (0.73) | TSHRSMN1; SMN2HTR6TLR9ALDH1A1 |
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-111818916-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |
| CN-111818917-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |