Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL203321 | 0.86 | CES2 (0.64) | CES2CES1PARP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5053757 | 0.84 | CES2 (0.61) | CES2CES1PARP1MEN1KMT2A | |
| SCHEMBL28267101 | 0.84 | CES2 (0.61) | CES2CES1PARP1MEN1KMT2A | |
| SCHEMBL1668962 | 0.84 | CA2 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23463704 | 0.83 | PARP1 (0.47) | CES2CES1CA12CA1CA2 | |
| SCHEMBL617480 | 0.80 | CA12 (0.70) | CES2CES1CA12CA1CA2 | |
| SCHEMBL29349853 | 0.78 | CES2 (0.54) | CES2CES1PARP1KDM4EALDH1A1 | |
| SCHEMBL164708 | 0.78 | CES2 (0.54) | CES2CES1PARP1MEN1KMT2A | |
| SCHEMBL28871108 | 0.78 | CA12 (0.67) | CES2CES1CA12CA1CA2 | |
| SCHEMBL11266406 | 0.78 | CES2 (0.54) | CES2CES1PARP1KDM4EALDH1A1 |
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-0624567-A2 | Derivatives of 3-fluorophenol, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-11-17 | — | — | EP | claimed |
| CN-105263901-A | [alpha]-substituted glycineamide derivative | KISSEI PHARMACEUTICAL | 2016-01-20 | — | — | CN | disclosed |
| US-6100246-A | Spiro-piperidine derivatives as inhibitors of nitric oxide synthase | ASTRA PHARMACEUTICALS LIMITED (GB) | 2000-08-08 | — | — | US | disclosed |
| CN-1259132-A | Compounds | ASTRA PHARMA PROD (GB) | 2000-07-05 | — | — | CN | disclosed |
| EP-0975639-A1 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046611-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-10-22 | — | — | WO | disclosed |
| EP-0624567-A2 | Derivatives of 3-fluorophenol, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-11-17 | — | — | EP | disclosed |