Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12263802 | 0.89 | CES1 (0.50) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL21436188 | 0.85 | NOS2 (0.48) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL4978892 | 0.83 | CTSL (0.46) | CES1CES2AKR1B1HIF1ATSHR | |
| SCHEMBL28085046 | 0.82 | CES1 (0.55) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL5184996 | 0.82 | CES1 (0.55) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL9657223 | 0.79 | KMT2A (0.41) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL25676 | 0.78 | CES1 (0.64) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL4958170 | 0.78 | CES1 (0.50) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL1397309 | 0.78 | GAA (0.53) | CES1CES2AKR1B1HIF1ALOXL2 | |
| SCHEMBL6318661 | 0.78 | NOS2 (0.52) | CES1CES2AKR1B1HIF1ALOXL2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5559156-A | Method for treating animals infected with Babesia spp. | GLAXO WELLCOME, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0621862-A1 | ORGANIC SALTS OF N, N'-DIACETYL CYSTINE. | ASTRA AB (SE) | 1994-11-02 | — | — | EP | disclosed |
| EP-0496729-B1 | MEDICAMENT FOR THE TREATMENT OF CRYPTOSPORIDIOSIS | WELLCOME FOUND (GB) | 1994-06-22 | — | — | EP | disclosed |
| WO-1993011104-A1 | ORGANIC SALTS OF N, N'-DIACETYL CYSTINE | AB ASTRA (SE) | 1993-06-10 | — | — | WO | disclosed |