Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP1 | P22413 | 2/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12591870 | 0.78 | ENPP1 (0.50) | ENPP1ENPP3MEN1KMT2A | |
| SCHEMBL23093079 | 0.77 | HNF4A (0.45) | TACR3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23093217 | 0.77 | ERN1 (0.39) | ENPP1ENPP3ADRB2ADRB1ADRB3 | |
| SCHEMBL4639385 | 0.70 | HSP90AA1 (0.39) | ENPP1ENPP3KMT2A | |
| SCHEMBL20385746 | 0.70 | NPC1 (0.40) | MEN1KMT2A | |
| SCHEMBL9418403 | 0.69 | GABRA1 (0.56) | GABRA1GABRB2PDCD1CD274 | |
| SCHEMBL13058672 | 0.67 | MTNR1A (0.60) | MTNR1AMTNR1B | |
| SCHEMBL10094055 | 0.66 | — | — | |
| SCHEMBL10052155 | 0.65 | ENPP3 (0.45) | ENPP1ENPP3ADRB2ADRB1ADRB3 | |
| SCHEMBL2927393 | 0.65 | GABRA1 (0.64) | GABRA1GABRB2PDCD1CD274CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021050688-A1 | COMPOUNDS AND USES THEREOF | X-CHEM, INC. (US) | 2021-03-18 | — | — | WO | disclosed |