Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29363532 | 1.00 | DPP4 (0.42) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL29005761 | 0.81 | ALDH1A1 (0.40) | MAOBKDM4ERAB9AALDH1A1 | |
| SCHEMBL29005760 | 0.81 | ALDH1A1 (0.40) | MAOBKDM4ERAB9AALDH1A1 | |
| SCHEMBL20660702 | 0.81 | MLYCD (0.44) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL20671047 | 0.81 | MLYCD (0.44) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL29363760 | 0.80 | CA12 (0.46) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL29005494 | 0.80 | CA12 (0.46) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL28880197 | 0.78 | CNKSR1 (0.45) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL30097025 | 0.78 | CNKSR1 (0.45) | DPP4TTRCA12CA1CA2 | |
| SCHEMBL26141728 | 0.78 | CNKSR1 (0.45) | DPP4TTRCA12CA1CA2 |
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-115996926-A | Indole compounds as androgen receptor modulators | 尼多生物科学有限公司 | 2023-04-21 | — | — | CN | disclosed |