Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.63 |
| ▸ | RELA | Q04206 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL360174 | 1.00 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL1911236 | 0.95 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL359021 | 0.88 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL4117285 | 0.79 | SMN1; SMN2 (0.70) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL6332386 | 0.78 | RAB9A (1.00) | SMN1; SMN2NPC1RAB9ANFKB1NFKB2 | |
| SCHEMBL1911231 | 0.76 | EPHX2 (0.62) | NPC1RAB9AEPHX2ALDH1A1MEN1 | |
| SCHEMBL24381758 | 0.75 | MEN1 (0.67) | NPC1RAB9AEPHX2ALDH1A1MEN1 | |
| SCHEMBL356730 | 0.75 | CTSL (0.65) | SMN1; SMN2RAB9AEPHX2ALDH1A1KMT2A | |
| SCHEMBL1912322 | 0.75 | EPHX2 (0.50) | SMN1; SMN2NPC1RAB9AEPHX2ALDH1A1 | |
| SCHEMBL14385304 | 0.74 | MAPK1 (0.45) | SMN1; SMN2EPHX2MEN1KMT2ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |