Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | STAT3 | P40763 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30130355 | 0.86 | STAT3 (0.43) | CA1CA2STAT3TSHRSMN1; SMN2 | |
| SCHEMBL30636832 | 0.86 | STAT3 (0.43) | CA1CA2STAT3TSHRSMN1; SMN2 | |
| SCHEMBL3479184 | 0.85 | TSHR (0.46) | CA1CA2STAT3TSHRSMN1; SMN2 | |
| SCHEMBL20559391 | 0.85 | ALDH1A1 (0.48) | CA1CA2TSHRALDH1A1POLB | |
| SCHEMBL4970833 | 0.85 | ALDH1A1 (0.48) | CA1CA2TSHRALDH1A1POLB | |
| SCHEMBL26919725 | 0.80 | STAT3 (0.42) | CA1CA2STAT3ALDH1A1CTDSP1 | |
| SCHEMBL17815986 | 0.79 | ALDH1A1 (0.49) | CA1CA2STAT3TSHRALDH1A1 | |
| SCHEMBL19874149 | 0.78 | STAT3 (0.40) | CA1CA2STAT3TSHRSMN1; SMN2 | |
| SCHEMBL19874147 | 0.78 | STAT3 (0.40) | CA1CA2STAT3TSHRSMN1; SMN2 | |
| SCHEMBL25389881 | 0.78 | STAT3 (0.44) | STAT3TSHRALDH1A1POLBCTDSP1 |
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-112105610-A | Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation | 朱比连特普罗德尔有限责任公司 | 2020-12-18 | — | — | CN | disclosed |