Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9165582 | 0.81 | L3MBTL1 (0.43) | CYP2D6ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL9165581 | 0.81 | L3MBTL1 (0.43) | CYP2D6ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL8536881 | 0.81 | L3MBTL1 (0.43) | CYP2D6ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL7116849 | 0.79 | HTR2A (0.33) | NPSR1CYP2D6TSHRTAAR1MEN1 | |
| SCHEMBL28418664 | 0.77 | KDM4E (0.39) | NPSR1CYP2D6ALDH1A1TSHRMEN1 | |
| SCHEMBL4085556 | 0.77 | HTR2A (0.32) | NPSR1CYP2D6TSHRTAAR1MEN1 | |
| SCHEMBL4080545 | 0.77 | HTR2A (0.32) | NPSR1CYP2D6TSHRTAAR1MEN1 | |
| SCHEMBL4080312 | 0.77 | CES2 (0.33) | NPSR1CYP2D6TSHRTAAR1MEN1 | |
| SCHEMBL2673956 | 0.77 | SLC6A2 (0.45) | CYP2D6ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL27702104 | 0.75 | LTA4H (0.41) | NPSR1TSHRMEN1KMT2AGPR88 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101208344-B | (R) -N-methylnaltrexone, method for the synthesis thereof and pharmaceutical use thereof | PROGENICS PHARM INC | 2012-10-24 | — | — | CN | disclosed |
| CN-102721756-A | Synthesis of (R)-N-methylnaltrexone | PROGENICS PHARM INC | 2012-10-10 | — | — | CN | disclosed |
| CN-101208344-A | (R) -N-methylnaltrexone, method for the synthesis thereof and pharmaceutical use thereof | PROGENICS PHARM INC (US) | 2008-06-25 | — | — | CN | disclosed |
| EP-1913001-A2 | (R)-N-METHYLNALTREXONE, PROCESSES FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE | PROGENICS PHARMACEUTICALS, INC. (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2006127899-A2 | (R)-N-METHYLNALTREXONE, PROCESSES FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE | PROGENICS PHARMACEUTICALS, INC. (US) | 2006-11-30 | — | — | WO | disclosed |