Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 8/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL28996705 | 0.93 | CA1 (0.44) | CA1CA7CA12CA14TDP1 | |
| Alcohol SCHEMBL23629777 | 0.91 | TDP1 (0.47) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL303868 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27497408 | 0.87 | DGAT1 (0.42) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL30402270 | 0.87 | DGAT1 (0.42) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL28175005 | 0.87 | — | — | |
| Butyric Acid SCHEMBL27853951 | 0.86 | FFAR3 (0.50) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL28164231 | 0.85 | CA1 (0.43) | CA1CA7CA12CA14TDP1 | |
| SCHEMBL15512903 | 0.83 | TDP1 (0.39) | CA1CA7CA12CA14TDP1 | |
| Acetic Acid SCHEMBL3543052 | 0.83 | MEN1 (0.41) | CA1CA7CA12CA14TDP1 |
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-114008044-A | Pyridyl or pyrimidinyl MTOR kinase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-02-01 | — | — | CN | disclosed |