Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL726575 | 0.90 | CYP2D6 (0.51) | MAPK1CYP1A2CYP2D6CYP2C19MAPT | |
| SCHEMBL30381474 | 0.88 | ALDH1A1 (0.54) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL21414836 | 0.87 | PTPN11 (0.40) | MAPK1ELANECYP1A2CYP2C19RAB9A | |
| SCHEMBL24948260 | 0.87 | TAS1R3 (0.42) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL18387172 | 0.85 | ELANE (0.37) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL10751433 | 0.84 | ALDH1A1 (0.39) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL5366422 | 0.81 | CYP1A2 (0.49) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL22854416 | 0.81 | ELANE (0.43) | MAPK1ELANECA1CA2CA12 | |
| SCHEMBL19404368 | 0.81 | MAPT (0.46) | MAPK1CA1CA2CYP1A2CYP2D6 | |
| SCHEMBL3685619 | 0.80 | TSHR (0.52) | MAPK1CA1CA2CA12CA9 |
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 |