Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 10/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22084104 | 0.83 | MKNK2 (0.59) | MAP4K4ALDH1A1CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL29987607 | 0.83 | CYP11B1 (0.49) | ALDH1A1CYP2A6CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL16180188 | 0.83 | CYP11B1 (0.49) | ALDH1A1CYP2A6CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL2321467 | 0.81 | HDAC1 (0.55) | ALDH1A1CYP2A6ALPLNPC1RAB9A | |
| SCHEMBL1356430 | 0.80 | PTGS2 (0.38) | ALDH1A1CYP2A6CYP1A1CYP1B1ERN1 | |
| SCHEMBL31180051 | 0.80 | PTGS2 (0.38) | ALDH1A1CYP2A6CYP1A1CYP1B1ERN1 | |
| SCHEMBL9607437 | 0.80 | PIP4K2A (0.57) | CYP11B1CYP11B2 | |
| SCHEMBL21960161 | 0.78 | CYP11B1 (0.73) | MAP4K4CYP11B1CYP11B2CYP1A2CYP3A4 | |
| SCHEMBL431059 | 0.78 | MKNK2 (0.58) | MAP4K4ALDH1A1CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL30577108 | 0.78 | MKNK2 (0.58) | MAP4K4ALDH1A1CYP2A6CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | claimed |
| CN-116724034-A | 2, 3-dihydro-4H-benzo [ B ] [1,4] oxazin-4-yl (5- (phenyl) -pyridin-3-yl) methanone derivatives and similar compounds as CYP11A1 inhibitors for the treatment of prostate cancer | 奥赖恩公司 | 2023-09-08 | — | — | CN | disclosed |
| WO-2011094890-A1 | PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS | ARGUSINA INC. (US) | 2011-08-11 | — | — | WO | disclosed |