Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | HBB | P68871 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2906435 | 0.77 | CYP2A6 (0.54) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL2905653 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL28865533 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL12159981 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL2085046 | 0.75 | CYP2A6 (0.44) | CYP2A6ALDH1A1KDM4ERELAMAPT | |
| SCHEMBL13247229 | 0.74 | RELA (0.63) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL10037361 | 0.74 | RELA (0.63) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL9170470 | 0.72 | APP (0.52) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL11045260 | 0.72 | CYP2A6 (0.48) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL1092248 | 0.71 | KDM4E (0.63) | CYP2A6CYP2A13APPALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124272-A2 | INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2009-10-08 | — | — | WO | disclosed |
| US-5773592-A | COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED | MILLS RANDELL LEE (US) | 1998-06-30 | — | — | US | disclosed |