Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | PRKDC | P78527 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | MAP3K9 | P80192 | 2/20 | 0.43 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | STK17B | O94768 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.40 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.40 |
| ▸ | MAPK15 | Q8TD08 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL1612856 | 1.00 | ERN1 (0.51) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL29953280 | 0.81 | ERN1 (0.51) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL13575041 | 0.81 | ALDH1A1 (0.44) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL29954599 | 0.81 | ALDH1A1 (0.44) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL24330121 | 0.77 | NR4A2 (0.48) | ERN1CYP2A6ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29953546 | 0.76 | ALDH1A1 (0.56) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL29956126 | 0.76 | CYP2A6 (0.51) | ERN1CYP2A6ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29951141 | 0.76 | CYP2A6 (0.51) | ERN1CYP2A6ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL29957228 | 0.75 | CYP2A6 (0.51) | ERN1CYP2A6PRKDCALDH1A1KDM4E | |
| SCHEMBL29951284 | 0.75 | ERN1 (0.51) | ERN1CYP2A6PRKDCALDH1A1KDM4E |
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 |