Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | FADS1 | O60427 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2769437 | 0.80 | ERN1 (0.47) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL1706394 | 0.78 | CYP1A2 (0.57) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL6582354 | 0.77 | CYP2A6 (0.38) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL1972157 | 0.77 | TRPM4 (0.46) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL5253273 | 0.76 | CYP2A6 (0.40) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL5252231 | 0.73 | CYP1A2 (0.48) | CYP2A6ALDH1A1CYP1A2MAPTLMNA | |
| SCHEMBL6416996 | 0.72 | CYP1A2 (0.61) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL5253105 | 0.72 | LRRK2 (0.38) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL5024019 | 0.72 | CYP2A6 (0.54) | CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1 | |
| SCHEMBL46 | 0.72 | CHAT (0.48) | CYP2A6ALDH1A1HSD17B10MTNR1AMTNR1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100534983-C | Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them | GLAXO GROUP LTD (GB) | 2009-09-02 | — | — | CN | disclosed |
| CN-1819995-A | Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them | GLAXO GROUP LTD (GB) | 2006-08-16 | — | — | CN | disclosed |
| EP-1180765-B1 | Optical recording medium and porphycene compound | MITSUI CHEMICALS INC (JP) | 2005-04-06 | — | — | EP | disclosed |
| EP-1180765-A1 | Optical recording medium and porphycene compound | Mitsui Chemicals, Inc. (JP) | 2002-02-20 | — | — | EP | disclosed |