Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 11/20 | 0.54 |
| ▸ | RAB9A | P51151 | 11/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22573626 | 0.86 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL22573343 | 0.85 | TSHR (0.58) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL22573464 | 0.85 | ADORA2A (0.57) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL22573335 | 0.84 | ADORA2A (0.59) | ADORA3ADORA2AADORA2BADORA1SMN1; SMN2 | |
| SCHEMBL22573604 | 0.84 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL22574016 | 0.83 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1SMN1; SMN2 | |
| SCHEMBL22573408 | 0.83 | ADORA3 (0.60) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL22573804 | 0.83 | ATM (0.58) | NPC1RAB9ASMN1; SMN2PKMKMT2A | |
| SCHEMBL22573552 | 0.81 | ADORA2A (0.66) | ADORA3ADORA2AADORA2BADORA1HSD17B10 | |
| SCHEMBL22573609 | 0.81 | ADORA2A (0.66) | ADORA3ADORA2AADORA2BADORA1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728236-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER | Adorx therapeutics Limited (GB) | 2020-10-28 | — | — | EP | claimed |
| EP-3728236-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER | Adorx therapeutics Limited (GB) | 2020-10-28 | — | — | EP | disclosed |