Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4792558 | 1.00 | NPC1 (0.43) | NPC1HCRTR1HCRTR2KMT2ATP53 | |
| SCHEMBL377671 | 0.81 | ALDH1A1 (0.58) | NPC1CYP2D6HSD17B10LMNAL3MBTL1 | |
| SCHEMBL469718 | 0.81 | RIPK1 (0.50) | HCRTR2CYP2D6TSHRROCK2 | |
| SCHEMBL456382 | 0.81 | RIPK1 (0.50) | HCRTR2CYP2D6TSHRROCK2 | |
| SCHEMBL331606 | 0.80 | ALDH1A1 (0.51) | NPC1CYP2D6HSD17B10L3MBTL1MGLL | |
| SCHEMBL331605 | 0.80 | ALDH1A1 (0.51) | NPC1CYP2D6HSD17B10L3MBTL1MGLL | |
| SCHEMBL31265195 | 0.79 | CYP2D6 (0.45) | NPC1CYP2D6HSD17B10L3MBTL1GPR119 | |
| SCHEMBL4541264 | 0.78 | L3MBTL1 (0.47) | NPC1KMT2AHSD17B10TSHRLMNA | |
| SCHEMBL4764237 | 0.77 | ALDH1A1 (0.49) | NPC1KMT2ALMNANPSR1L3MBTL1 | |
| SCHEMBL4764235 | 0.77 | ALDH1A1 (0.49) | NPC1KMT2ALMNANPSR1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2407451-B1 | N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors | OTSUKA PHARMA CO LTD (JP) | 2013-11-20 | — | — | EP | disclosed |
| EP-1881975-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006121218-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | WO | disclosed |