Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5184996 | 0.85 | CES1 (0.55) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL31568852 | 0.81 | CTSL (0.47) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL18768682 | 0.81 | CES2 (0.46) | CES1CES2AKR1B1HIF1AKMT2A | |
| Hydrochloric Acid SCHEMBL4304721 | 0.79 | CES2 (0.44) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL516687 | 0.78 | CES1 (0.48) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL27136057 | 0.77 | CES2 (0.43) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL9192371 | 0.77 | MAOB (0.46) | CES1CES2AKR1B1HIF1AKMT2A | |
| Hydrochloric Acid SCHEMBL10902738 | 0.77 | CA2 (0.54) | KMT2AALDH1A1IDO1FNTAFNTB | |
| SCHEMBL2146358 | 0.77 | CYP3A4 (0.55) | CES1CES2AKR1B1HIF1AKMT2A | |
| SCHEMBL516688 | 0.77 | MAOB (0.46) | CES1CES2AKR1B1HIF1AKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767388-B2 | Method for monitoring the stereoselectivity and relative rate of organic chemical reactions | NUTECH VENTURES (US) | 2010-08-03 | — | — | US | disclosed |
| US-20060263895-A1 | Method for monitoring the stereoselectivity and relative rate of organic chemical reactions | NUTECH VENTURES | 2006-11-23 | — | — | US | disclosed |