Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28686649 | 1.00 | DGAT1 (0.41) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL10653727 | 0.81 | DGAT1 (0.40) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL22123310 | 0.79 | DGAT1 (0.38) | DGAT1CA12CA14TDP1CA1 | |
| SCHEMBL10655856 | 0.79 | TDP1 (0.49) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL10655172 | 0.79 | DGAT1 (0.38) | DGAT1CA12CA14TDP1CA1 | |
| SCHEMBL10658623 | 0.78 | DGAT1 (0.37) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL18923231 | 0.77 | DGAT1 (0.42) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL10628506 | 0.76 | MEN1 (0.38) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL5498919 | 0.76 | DGAT1 (0.48) | DGAT1CA2CA12CA14TDP1 | |
| SCHEMBL10657233 | 0.75 | DGAT1 (0.35) | DGAT1CA2CA12CA14TDP1 |
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-113929598-A | Synthesis method of (S) -2-tert-butyloxycarbonylamino-3- (4, 4-difluorocyclohexyl) propionic acid | 上海吉奉生物科技有限公司 | 2022-01-14 | — | — | CN | disclosed |