Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5899350 | 0.82 | CES2 (0.76) | CES2CES1CYP1A2KMT2ALMNA | |
| SCHEMBL234580 | 0.82 | CES2 (0.76) | CES2CES1CYP1A2KMT2ALMNA | |
| SCHEMBL604040 | 0.82 | CES2 (0.76) | CES2CES1CYP1A2KMT2ALMNA | |
| Benzene SCHEMBL28201061 | 0.82 | CES2 (0.76) | CES2CES1CYP1A2KMT2ALMNA | |
| SCHEMBL6201027 | 0.81 | MEN1 (0.51) | CES2CES1KMT2ACNR1MEN1 | |
| SCHEMBL8880335 | 0.81 | SRC (0.55) | CES2CES1CYP1A2KMT2ACNR1 | |
| Hydrochloric Acid SCHEMBL7037834 | 0.80 | CES2 (0.73) | CES2CES1CYP1A2LMNACYP2C19 | |
| Methane SCHEMBL6115781 | 0.80 | CES2 (0.73) | CES2CES1CYP1A2LMNACYP2C19 | |
| Ammonia Solution, Strong SCHEMBL38660268 | 0.80 | CES2 (0.73) | CES2CES1CYP1A2KMT2ALMNA | |
| SCHEMBL4076362 | 0.79 | CES2 (0.52) | CES2CES1CNR1SMN1; SMN2CNR2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109535080-A | A kind of synthetic method of benzimidizole derivatives | 广东省石油与精细化工研究院 | 2019-03-29 | — | — | CN | claimed |
| CN-106117028-B | A kind of process preparing halogenated -3,4- dihydro -1H-2- naphthalenone | 浙江永太药业有限公司 | 2019-01-01 | — | — | CN | disclosed |
| WO-2018149852-A1 | HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2018-08-23 | — | — | WO | disclosed |
| CN-103694380-B | Grafted polyvinyl alcohol | 江苏丽王科技有限公司 | 2017-02-01 | — | — | CN | disclosed |
| CN-106117028-A | A kind of process preparing halo 3,4 dihydro 1H 2 naphthalenone | 浙江永太药业有限公司 | 2016-11-16 | — | — | CN | disclosed |
| EP-1077701-A4 | ANTI-VIRAL COMPOUNDS | LILLY CO ELI (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6358971-B1 | FOR INHIBITING THE GROWTH OF A PICORNAVIRUS | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| CN-1292697-A | Anti-viral compound | LILLY CO ELI (US) | 2001-04-25 | — | — | CN | disclosed |
| EP-1077701-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059587-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1999-11-25 | — | — | WO | disclosed |