Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 4/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15732397 | 0.76 | ALDH1A1 (0.42) | CES2CES1PTPN1GSK3BTAAR1 | |
| SCHEMBL15658501 | 0.76 | ALDH1A1 (0.42) | CES2CES1PTPN1GSK3BTAAR1 | |
| SCHEMBL15658982 | 0.72 | TAAR1 (0.39) | CES2CES1PTPN1GSK3BTAAR1 | |
| SCHEMBL8416641 | 0.72 | TAAR1 (0.39) | CES2CES1CYP1A2TAAR1ALDH1A1 | |
| SCHEMBL15659988 | 0.72 | TAAR1 (0.39) | CES2CES1PTPN1GSK3BTAAR1 | |
| SCHEMBL6349486 | 0.72 | TDP1 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL624798 | 0.70 | TAAR1 (0.50) | CES2CES1CYP1A2PTPN1GSK3B | |
| SCHEMBL7526444 | 0.69 | CES2 (0.46) | CES2CES1CYP1A2PTPN1GSK3B | |
| SCHEMBL9516172 | 0.68 | ALDH1A1 (0.44) | CES2CES1TAAR1ALDH1A1TSHR | |
| SCHEMBL287478 | 0.68 | ALDH1A1 (0.48) | CES2CES1TAAR1ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005518081-A | — | — | 2005-06-16 | — | — | JP | claimed |
| EP-1472909-A1 | ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH PHOSPHINOALKOXIDES AND PHENYLPYRIDINES OR PHENYLPYRIMIDINES AND DEVICES MADE WITH SUCH COMPOUNDS | E.I. du Pont de Nemours and Company (US) | 2004-11-03 | — | — | EP | claimed |
| WO-2003069961-A1 | ELECTROLUMINESCENT IRIDIUM COMPOUNDS WITH PHOSPHINOALKOXIDES AND PHENYLPYRIDINES OR PHENYLPYRIMIDINES AND DEVICES MADE WITH SUCH COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2003-08-21 | — | — | WO | claimed |