Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | CPA1 | P15085 | 2/20 | 0.40 |
| ▸ | CPA3 | P15088 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL821837 | 0.84 | CYP1A2 (0.46) | CYP1A2CHRM1SRRALDH1A1ALPI | |
| SCHEMBL5810826 | 0.83 | LMNA (0.51) | CYP1A2CHRM1SRRALDH1A1TDP1 | |
| SCHEMBL24816421 | 0.81 | TSHR (0.50) | CYP1A2CHRM1SRRALDH1A1TDP1 | |
| SCHEMBL29091476 | 0.81 | PTGS1 (0.58) | CYP1A2CHRM1SRRALDH1A1ALPI | |
| SCHEMBL7046944 | 0.80 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1TDP1SLC15A1 | |
| SCHEMBL4219709 | 0.80 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1TDP1SLC15A1 | |
| SCHEMBL262278 | 0.80 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1TDP1SLC15A1 | |
| SCHEMBL2426331 | 0.80 | TSHR (0.54) | CHRM1ALDH1A1TDP1SMN1; SMN2PPARG | |
| SCHEMBL5668365 | 0.79 | TSHR (0.53) | ALDH1A1TDP1SMN1; SMN2PPARG | |
| SCHEMBL1245765 | 0.79 | MMP8 (0.59) | CYP1A2ALDH1A1PKMTDP1SMN1; SMN2 |
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-5371001-A | Transesterification in the presence of carboxy-esterases or carboxyamidases | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-12-06 | — | — | US | disclosed |
| US-5254718-A | Using enzyme catalyst; simplified separation, purification | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1993-10-19 | — | — | US | disclosed |
| WO-1992015547-A1 | ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-17 | — | — | WO | disclosed |