Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18948523 | 1.00 | NR1I2 (0.36) | NR1I2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL23172210 | 1.00 | NR1I2 (0.36) | NR1I2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL19772422 | 0.98 | NR1I2 (0.35) | NR1I2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL21566438 | 0.98 | NR1I2 (0.35) | NR1I2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL26771643 | 0.86 | NR1I2 (0.36) | NR1I2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL25718332 | 0.85 | IDO1 (0.32) | NPC1RAB9ASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL20273118 | 0.85 | NPC1 (0.35) | NPC1RAB9AMEN1KMT2ANPSR1 | |
| SCHEMBL23172413 | 0.83 | NR1I2 (0.36) | NR1I2LMNA | |
| SCHEMBL23172597 | 0.83 | NR1I2 (0.36) | NR1I2LMNA | |
| SCHEMBL18885072 | 0.81 | NR1I2 (0.35) | NR1I2KMT2AALDH1A1 |
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-9963450-B2 | A3 adenosine receptor agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-05-08 | — | — | US | disclosed |