Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.50 |
| ▸ | CES1 | P23141 | 6/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.47 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 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 | |
|---|---|---|---|---|
| SCHEMBL10991353 | 0.81 | CES2 (0.60) | CES2CES1TSHRALDH1A1AKR1B1 | |
| SCHEMBL10938265 | 0.80 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL9234241 | 0.79 | CES2 (0.62) | CES2CES1TSHRALDH1A1AKR1B1 | |
| SCHEMBL11343871 | 0.79 | CES2 (0.62) | CES2CES1TSHRALDH1A1AKR1B1 | |
| SCHEMBL10354786 | 0.79 | CES2 (0.62) | CES2CES1TSHRALDH1A1AKR1B1 | |
| SCHEMBL16908441 | 0.79 | CES2 (0.62) | CES2CES1TSHRALDH1A1AKR1B1 | |
| SCHEMBL722981 | 0.78 | — | — | |
| SCHEMBL28441502 | 0.78 | — | — | |
| SCHEMBL5245487 | 0.78 | — | — | |
| SCHEMBL14342910 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0704460-B1 | PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP | KURARAY CO (JP) | 1998-11-04 | — | — | EP | disclosed |
| US-4853486-A | Method for production of dithiodialdehyde | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1989-08-01 | — | — | US | disclosed |