Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HBB | P68871 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7708106 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL11050322 | 0.82 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL27827550 | 0.79 | CYP2A6 (0.54) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL7335589 | 0.78 | CYP2A6 (0.62) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL5469370 | 0.76 | CYP2A6 (0.48) | CYP2A6ALDH1A1RELAMAPTKMT2A | |
| SCHEMBL7708200 | 0.71 | HSD17B10 (0.48) | CYP2A6TSHRHSD17B10LMNAHTT | |
| SCHEMBL7702901 | 0.71 | ALDH5A1 (0.48) | APPALDH1A1ALOX15HSD17B10RELA | |
| SCHEMBL10846378 | 0.71 | APP (0.57) | CYP2A6CYP2A13APPALDH1A1ALOX15 | |
| SCHEMBL7711381 | 0.71 | CYP1A2 (0.41) | TSHRSMN1; SMN2TP53LMNA | |
| SCHEMBL7711464 | 0.71 | ALDH1A1 (0.54) | CYP2A6ALDH1A1ALOX15TSHRRELA |
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 |
|---|---|---|---|---|---|---|---|
| US-6358665-B1 | ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE | CLARIANT INTERNATIONAL LTD. (CH) | 2002-03-19 | — | — | US | disclosed |
| EP-1033624-A1 | RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE | Clariant International Ltd. (CH) | 2000-09-06 | — | — | EP | disclosed |