Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6845370 | 1.00 | CES1 (0.47) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL8928649 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KMT2AHDAC8HDAC6MAPK1 | |
| SCHEMBL27658362 | 0.83 | ALDH1A1 (0.42) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL11520811 | 0.82 | CES1 (0.40) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL27710449 | 0.80 | CYP2C9 (0.54) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL10700398 | 0.76 | CES1 (0.54) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL2876835 | 0.76 | CES1 (0.54) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL10932286 | 0.76 | CES1 (0.54) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| SCHEMBL15166806 | 0.76 | CES1 (0.54) | CES1CES2AKR1B1CYP2C9CYP3A4 | |
| Phenylacetic Acid SCHEMBL28329103 | 0.76 | AKR1B1 (0.65) | CES1CES2AKR1B1CYP2C9CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0524557-B1 | Ocular lens material | MENICON CO LTD (JP) | 1996-01-17 | — | — | EP | claimed |
| EP-1284979-B1 | PREPOLYMERIC (METH)ACRYLATES WITH POLYCYCLIC OR AROMATIC SEGMENTS | 3M ESPE AG (DE) | 2004-12-29 | — | — | EP | disclosed |
| US-6770728-B2 | POLYSILOXANEURETHANE COPOLYMERS FORMED BY REACTING GLYCOL AND DIISOCYANATE IN PRESENCE OF ORGANIC IRON COMPOUND AS CATALYST | MENICON CO., LTD. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20030125500-A1 | Process for preparing ocular lens with urethane compound and process for preparing urethane compound for medical instruments | MENICON CO., LTD. (JP) | 2003-07-03 | — | — | US | disclosed |
| EP-1284979-A1 | PREPOLYMERIC (METH)ACRYLATES WITH POLYCYCLIC OR AROMATIC SEGMENTS | 3M Espe AG (DE) | 2003-02-26 | — | — | EP | disclosed |
| WO-2001092271-A1 | PREPOLYMERIC (METH)ACRYLATES WITH POLYCYCLIC OR AROMATIC SEGMENTS | 3M ESPE AG (DE) | 2001-12-06 | — | — | WO | disclosed |
| US-4941972-A | REVERSE OSMOSIS MEMBRANE OF HYDROXYALKYL METHACRYLATE FILM CROSSLINKED WITH VINYLARALKYL DIALKYLSULFONIUM SALT | THE DOW CHEMICAL COMPANY (US) | 1990-07-17 | — | — | US | disclosed |