Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 4/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.37 |
| ▸ | HTR3B | O95264 | 3/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 3/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | UBE2M | P61081 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL331719 | 0.89 | TSHR (0.40) | HSD17B14HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL331718 | 0.89 | TSHR (0.40) | HSD17B14HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4763964 | 0.74 | TSHR (0.43) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL4763962 | 0.74 | TSHR (0.43) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL4770050 | 0.72 | TSHR (0.41) | POLQMAPTALDH1A1LMNATSHR | |
| SCHEMBL4770053 | 0.72 | TSHR (0.41) | POLQMAPTALDH1A1LMNATSHR | |
| SCHEMBL4769940 | 0.65 | TSHR (0.41) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL4769937 | 0.65 | TSHR (0.41) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL4771659 | 0.65 | ALDH1A1 (0.42) | MAPTALDH1A1LMNATSHR | |
| SCHEMBL4771661 | 0.65 | ALDH1A1 (0.42) | MAPTALDH1A1LMNATSHR |
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-1881975-B1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMA CO LTD (JP) | 2014-01-08 | — | — | EP | disclosed |
| 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-2407451-A1 | N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-01-18 | — | — | EP | disclosed |