Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DGKA | P23743 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | IAPP | P10997 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL128865 | 0.75 | — | — | |
| SCHEMBL10800457 | 0.74 | AKR1B1 (0.39) | AKR1B1KDM4EALDH1A1 | |
| SCHEMBL10802734 | 0.74 | TDP1 (0.39) | AKR1B1ALDH1A1 | |
| SCHEMBL568804 | 0.72 | — | — | |
| SCHEMBL10871127 | 0.68 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL10871136 | 0.68 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL28410850 | 0.68 | CES2 (0.59) | AKR1B1CES2CES1HDAC3HDAC1 | |
| SCHEMBL28890634 | 0.66 | CES2 (0.56) | AKR1B1CES2CES1HDAC3HDAC1 | |
| SCHEMBL126793 | 0.66 | — | — | |
| SCHEMBL27356290 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0727989-A4 | BUTYRIC ESTER CYTO-DIFFERENTIATING AGENTS | SLOAN KETTERING INST CANCER (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5645852-A | Butyric ester cyto-differtiating agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0727989-A1 | BUTYRIC ESTER CYTO-DIFFERENTIATING AGENTS | Sloan-Kettering Institute For Cancer Research (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013062-A1 | BUTYRIC ESTER CYTO-DIFFERENTIATING AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1995-05-18 | — | — | WO | disclosed |