Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651276 | 0.95 | CTSK (0.40) | CTSKCA12CA1CA7CA14 | |
| SCHEMBL4653239 | 0.83 | DGKA (0.43) | CTSKCA12CA1CA7CA14 | |
| SCHEMBL30516551 | 0.82 | DGKA (0.46) | CTSKTDP1CES2CES1 | |
| SCHEMBL8002118 | 0.82 | DGKA (0.46) | CTSKTDP1CES2CES1 | |
| SCHEMBL31088250 | 0.82 | DGKA (0.46) | CTSKTDP1CES2CES1 | |
| SCHEMBL25438156 | 0.82 | DGKA (0.46) | CTSKTDP1CES2CES1 | |
| SCHEMBL20503257 | 0.82 | DGKA (0.46) | CTSKTDP1CES2CES1 | |
| SCHEMBL9005847 | 0.79 | CES2 (0.46) | CTSKTDP1CES2CES1MAOA | |
| SCHEMBL1638343 | 0.78 | CTSK (0.43) | CTSKCA12CA1CA7CA14 | |
| SCHEMBL377844 | 0.74 | ALDH1A1 (0.41) | CTSKCA12CA1CA7CA14 |
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-112321472-A | Novel monothiol mucolytic agents | 帕里昂科学公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-107614480-B | Novel monothiol mucolytic agents | 帕里昂科学公司 | 2020-09-15 | — | — | CN | disclosed |