Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.56 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14645587 | 0.85 | CES1 (0.56) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL669851 | 0.84 | CES1 (0.61) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL11856356 | 0.84 | CES1 (0.50) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL11488560 | 0.83 | TSHR (0.57) | CES1CES2ALDH1A1TSHRDAO | |
| Water SCHEMBL2479676 | 0.82 | CES1 (0.58) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL132067 | 0.82 | CES1 (0.58) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL11183801 | 0.82 | CES1 (0.58) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL6050014 | 0.81 | CES1 (0.52) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL1874832 | 0.80 | CES1 (0.56) | CES1SRCCES2ALDH1A1TSHR | |
| SCHEMBL1433235 | 0.80 | CES1 (0.56) | CES1SRCCES2ALDH1A1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952997-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-03 | — | — | EP | disclosed |
| WO-1998030609-A1 | POLYMERIZATION OF OLEFINS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-07-16 | — | — | WO | disclosed |