Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | SAT1 | P21673 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9207589 | 0.96 | SIGMAR1 (0.60) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL22651943 | 0.94 | SIGMAR1 (0.63) | CYP1A2SIGMAR1TSHRALDH1A1NAAA | |
| SCHEMBL5511122 | 0.94 | CYP1A2 (0.68) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL24270878 | 0.92 | CYP1A2 (0.64) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL31560045 | 0.90 | SIGMAR1 (0.58) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL9208675 | 0.90 | CYP1A2 (0.63) | CYP1A2SIGMAR1TSHRALDH1A1NAAA | |
| SCHEMBL9213826 | 0.90 | SIGMAR1 (0.63) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL629782 | 0.90 | CYP1A2 (0.61) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL12288486 | 0.90 | CYP1A2 (0.61) | CYP1A2SIGMAR1TSHRALDH1A1TLR7 | |
| SCHEMBL6625337 | 0.88 | CYP1A2 (0.59) | CYP1A2SIGMAR1TSHRALDH1A1BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248919-B1 | E.G., (2S)-2-(((5-((BUTYL(2-CYCLOHEXYLETHYL)AMINO)METHYL) -2'-METHYL(1,1'-BIPHENYL)-2-YL)CARBONYL)AMINO)-4-(METHYLSULFAN YL)BUTANOIC ACID, OR A PHARMACEUTICALLY ACCEPTABLE SALT OR PRODRUG THEREOF. | ABBOTT LABORATORIES | 2001-06-19 | — | — | US | claimed |