Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1296436 | 0.88 | CYP3A4 (0.53) | ALDH1A1EPHX2CYP3A4TSHRATM | |
| SCHEMBL2140881 | 0.87 | ADRB2 (0.50) | ADRB2ADRB1ADRB3ALDH1A1MEN1 | |
| SCHEMBL22855997 | 0.86 | CYP3A4 (0.48) | ADRB2ADRB1ADRB3ALDH1A1EPHX2 | |
| SCHEMBL22856455 | 0.85 | CYP3A4 (0.50) | ALDH1A1EPHX2CYP3A4TSHRATM | |
| SCHEMBL30457705 | 0.85 | ADRB2 (0.42) | ADRB2ADRB1ADRB3ALDH1A1MEN1 | |
| SCHEMBL5368697 | 0.84 | ADRB2 (0.41) | ADRB2ADRB1ADRB3ALDH1A1MEN1 | |
| SCHEMBL1325393 | 0.84 | CYP3A4 (0.52) | ALDH1A1MEN1KMT2AEPHX2CYP3A4 | |
| SCHEMBL13957054 | 0.84 | ADRB2 (0.50) | ADRB2ADRB1ADRB3ALDH1A1MEN1 | |
| SCHEMBL1296439 | 0.83 | CYP3A4 (0.48) | ALDH1A1EPHX2CYP3A4TSHRATM | |
| SCHEMBL1296540 | 0.83 | CYP3A4 (0.48) | ALDH1A1EPHX2CYP3A4TSHRATM |
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 |
|---|---|---|---|---|---|---|---|
| US-7208545-B1 | Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-24 | — | — | US | claimed |
| EP-1194396-B1 | SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS | BASF AG (DE) | 2005-11-09 | — | — | EP | claimed |
| US-7208545-B1 | Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-24 | — | — | US | disclosed |