Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6813900 | 0.78 | CES1 (0.45) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL2331474 | 0.78 | CES1 (0.45) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL341402 | 0.78 | CES1 (0.45) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL9622344 | 0.76 | CES1 (0.44) | CES1TDP1L3MBTL1CES2LMNA | |
| Water SCHEMBL10705607 | 0.76 | CES1 (0.44) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL28149707 | 0.76 | CES1 (0.44) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL11428664 | 0.73 | TDP1 (0.47) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL4966524 | 0.72 | CPT2 (0.46) | CES1TDP1L3MBTL1CES2LMNA | |
| SCHEMBL4902723 | 0.71 | TSHR (0.51) | CES1TDP1LMNASRCTSHR | |
| SCHEMBL11646755 | 0.70 | TDP1 (0.44) | CES1TDP1L3MBTL1CES2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010007032-A1 | PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2010-01-21 | — | — | WO | disclosed |