Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HNF4A | P41235 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20530598 | 0.88 | CYP1A2 (0.48) | CYP2A6AHRCYP1A2CYP1A1PAX8 | |
| SCHEMBL6316182 | 0.85 | HSD17B10 (0.46) | CYP2A6AHRCYP1A2CYP1A1PAX8 | |
| SCHEMBL29463989 | 0.85 | HSD17B10 (0.46) | CYP2A6AHRCYP1A2CYP1A1PAX8 | |
| SCHEMBL24156128 | 0.83 | AHR (0.46) | CYP2A6AHRCYP1A2CYP1A1PAX8 | |
| SCHEMBL24656655 | 0.74 | CYP2A6 (0.50) | CYP2A6AHRCYP1A2PAX8FYN | |
| SCHEMBL31222429 | 0.74 | CYP2A6 (0.50) | CYP2A6AHRCYP1A2PAX8FYN | |
| SCHEMBL25672935 | 0.72 | CYP1A2 (0.43) | CYP2A6AHRCYP1A2CYP1A1PAX8 | |
| SCHEMBL20480431 | 0.72 | MCL1 (0.42) | AHRCYP1A2FYNL3MBTL1MAPT | |
| SCHEMBL1148375 | 0.71 | MCL1 (0.35) | AHRCYP1A2CYP1A1PAX8FYN | |
| SCHEMBL24028828 | 0.70 | AHR (0.44) | CYP2A6AHRCYP1A2CYP1A1PAX8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2991996-A1 | NEW QUADRIDENTATE PHOSPHORUS LIGANDS COMPRISING HOSTANOX O3 CONDUCTIVE STRUCTURE | Evonik Degussa GmbH (DE) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014177355-A1 | NEW QUADRIDENTATE PHOSPHORUS LIGANDS COMPRISING HOSTANOX O3 CONDUCTIVE STRUCTURE | EVONIK INDUSTRIES AG (DE) | 2014-11-06 | — | — | WO | disclosed |