Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.30 |
| ▸ | TUBB | P07437 | 2/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.30 |
| ▸ | TUBA1B | P68363 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16783781 | 0.78 | ENPP2 (0.42) | ENPP2ORAI1ORAI2ORAI3ALDH1A1 | |
| SCHEMBL29952537 | 0.74 | PDE4D (0.38) | ENPP2ORAI1ORAI2ORAI3PDE4D | |
| SCHEMBL29957723 | 0.74 | ADRB2 (0.32) | CYP3A4 | |
| SCHEMBL1866579 | 0.74 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL29953087 | 0.73 | PDE4D (0.39) | ENPP2ALDH1A1PDE4DKDM4ETUBB4A | |
| SCHEMBL21736978 | 0.72 | ALDH1A1 (0.38) | ALDH1A1RAB9ACYP17A1CYP19A1CYP11B1 | |
| SCHEMBL28347487 | 0.71 | TDO2 (0.35) | ALDH1A1RAB9ACYP17A1CYP19A1CYP11B1 | |
| SCHEMBL22660811 | 0.71 | POLB (0.34) | ALDH1A1RAB9ACYP17A1CYP19A1CYP11B1 | |
| SCHEMBL28292563 | 0.71 | GAA (0.42) | ALDH1A1RAB9ACYP17A1CYP19A1CYP11B1 | |
| SCHEMBL29955677 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP3A4 |
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 |