Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16006805 | 0.95 | CYP1A2 (0.32) | CYP1A2CYP2C9CYP2C19CYP2D6MAPK1 | |
| SCHEMBL13611427 | 0.91 | TDP1 (0.42) | CYP2C19KDM4ELMNAALOX15BLM | |
| SCHEMBL24727237 | 0.84 | — | — | |
| SCHEMBL29953434 | 0.83 | CA12 (0.34) | CYP1A2CYP2C9CYP2C19CYP2D6MAPK1 | |
| SCHEMBL16006808 | 0.81 | TDP1 (0.54) | CYP2C19KDM4ELMNAALOX15BLM | |
| SCHEMBL15333132 | 0.81 | CA12 (0.36) | — | |
| SCHEMBL29951124 | 0.80 | CA12 (0.38) | CYP1A2CYP2C19CYP2D6KDM4EALDH1A1 | |
| SCHEMBL3749558 | 0.76 | TDP1 (0.41) | CYP1A2CYP2C9CYP2C19KDM4EGMNN | |
| SCHEMBL4419363 | 0.76 | TDP1 (0.52) | CYP2C19CYP2D6KDM4EALDH1A1LMNA | |
| SCHEMBL24864482 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |