Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 3/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.47 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1253163 | 1.00 | CA1 (0.61) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL2787203 | 0.85 | CA1 (0.73) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL4195713 | 0.82 | KMT2A (0.46) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL9712634 | 0.82 | CA1 (0.48) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL11118654 | 0.81 | CA1 (0.50) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL11125556 | 0.80 | CA1 (0.49) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL16951072 | 0.80 | ALDH1A1 (0.54) | CA1CA2ALDH1A1KMT2AKDM4E | |
| SCHEMBL16960287 | 0.80 | CA1 (0.43) | CA1CA2ERN1TLR2TLR1 | |
| SCHEMBL1253375 | 0.79 | CA1 (0.43) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL1253929 | 0.79 | L3MBTL1 (0.44) | CA1CA2SRCERN1TLR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116507332-A | Octahydroisoquinolinyl derivatives | UCB生物制药有限责任公司 | 2023-07-28 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |