Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29850392 | 0.85 | ENPP2 (0.48) | PIK3CDCYP2A6NAPRTENPP2CA1 | |
| SCHEMBL145209 | 0.85 | ENPP2 (0.48) | PIK3CDCYP2A6NAPRTENPP2CA1 | |
| SCHEMBL19780935 | 0.82 | ENPP2 (0.54) | NOTUMENPP2NPC1RAB9ACNR2 | |
| SCHEMBL38656446 | 0.77 | ENPP2 (0.42) | ENPP2CA1CA2MGLLKDM4E | |
| SCHEMBL26314552 | 0.77 | ENPP2 (0.42) | ENPP2CA1CA2MGLLKDM4E | |
| SCHEMBL2560337 | 0.75 | NPC1 (0.53) | NPC1RAB9ACA1CA2MGLL | |
| SCHEMBL30518373 | 0.75 | NPC1 (0.53) | NPC1RAB9ACA1CA2MGLL | |
| SCHEMBL14668828 | 0.75 | CA2 (0.54) | CYP2A6NOTUMNPC1RAB9ACA1 | |
| SCHEMBL29950578 | 0.74 | MGLL (0.54) | ENPP2CA1CA2MGLL | |
| SCHEMBL441703 | 0.74 | MGLL (0.54) | ENPP2CA1CA2MGLL |
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 |