Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6235818 | 1.00 | ADRB2 (0.47) | ADRB2ADRB1ADRB3NPC1RAB9A | |
| SCHEMBL6232578 | 0.82 | CHRM2 (0.53) | SERPINE1KMT2AMEN1CHRM2CHRM4 | |
| SCHEMBL6232576 | 0.82 | CHRM2 (0.53) | SERPINE1KMT2AMEN1CHRM2CHRM4 | |
| SCHEMBL6271593 | 0.81 | NPC1 (0.48) | ADRB2ADRB1ADRB3NPC1RAB9A | |
| SCHEMBL6271596 | 0.81 | NPC1 (0.48) | ADRB2ADRB1ADRB3NPC1RAB9A | |
| SCHEMBL6232026 | 0.80 | ALDH1A1 (0.47) | NPC1RAB9ASERPINE1ALDH1A1KMT2A | |
| SCHEMBL6232028 | 0.80 | ALDH1A1 (0.47) | NPC1RAB9ASERPINE1ALDH1A1KMT2A | |
| SCHEMBL6236142 | 0.79 | CHRM2 (0.57) | KMT2AMEN1CHRM2CHRM4CHRM1 | |
| SCHEMBL6236146 | 0.79 | CHRM2 (0.57) | KMT2AMEN1CHRM2CHRM4CHRM1 | |
| SCHEMBL6234235 | 0.78 | POLB (0.55) | ADRB2ADRB1ADRB3ALDH1A1KMT2A |
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-2005000855-A1 | PROCESS FOR THE PREPARATION OF ATROPISOMERIC ANALOGUES OF 4-AMINOPYRIDINE | IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) | 2005-01-06 | — | — | WO | disclosed |