Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28173074 | 0.87 | ALDH1A1 (0.43) | CES1NPSR1MLYCDALDH1A1TDP1 | |
| SCHEMBL27659173 | 0.83 | KMT2A (0.34) | CES1ALDH1A1TDP1L3MBTL1MEN1 | |
| SCHEMBL28760313 | 0.83 | KIF11 (0.41) | CES1ALDH1A1TDP1KMT2A | |
| SCHEMBL6506843 | 0.83 | KCNN4 (0.41) | CES1KMT2APARP1KCNN4 | |
| Water SCHEMBL10825040 | 0.82 | CES1 (0.34) | CES1NPSR1MLYCDALDH1A1TDP1 | |
| SCHEMBL27659169 | 0.82 | HTR3E (0.41) | NPSR1ALDH1A1POLBPARP1MAPT | |
| SCHEMBL27659171 | 0.82 | CES2 (0.41) | NPSR1ALDH1A1MAPTTSHR | |
| SCHEMBL27659195 | 0.80 | PARP15 (0.39) | MLYCDNR1H3 | |
| SCHEMBL11141452 | 0.80 | NPSR1 (0.41) | NPSR1ALDH1A1TDP1L3MBTL1ATM | |
| SCHEMBL6012131 | 0.79 | NPSR1 (0.38) | CES1NPSR1MLYCDALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | claimed |
| CN-1859912-A | Inhibitors of Akt activity | SMITHKLINE BEECHAM CORP (US) | 2006-11-08 | — | — | CN | disclosed |