Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP9 | P55211 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16247863 | 0.74 | CA12 (0.42) | CA12CA9PARP1TDP2CASP3 | |
| SCHEMBL25003275 | 0.73 | CYP3A4 (0.38) | CA12CA9PARP1LMNACYP3A4 | |
| SCHEMBL26271176 | 0.73 | CA12 (0.35) | CA12CA9PARP1 | |
| SCHEMBL28493380 | 0.69 | HTR6 (0.41) | TYMSTDP2CASP3CASP7CASP9 | |
| SCHEMBL25716759 | 0.69 | CA12 (0.38) | CA12CA9PARP1TSHRMETAP2 | |
| SCHEMBL12687210 | 0.69 | CA12 (0.38) | CA12CA9PARP1TSHRMETAP2 | |
| SCHEMBL2675467 | 0.68 | CA12 (0.41) | CA12CA9PARP1LMNAMAPT | |
| SCHEMBL14080845 | 0.67 | CA12 (0.33) | CA12CA9ADRB2HTR1AHTR2A | |
| SCHEMBL14940557 | 0.67 | CA12 (0.40) | CA12CA9PARP1LMNACYP3A4 | |
| SCHEMBL12843388 | 0.67 | CES1 (0.39) | PARP1TYMSLMNACYP3A4SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3939968-A1 | NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME | Medicinal Bioconvergence Research Center (KR) | 2022-01-19 | — | — | EP | disclosed |