Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770075 | 0.87 | PGR (0.42) | TSHRLMNAALDH1A1MEN1MAPT | |
| SCHEMBL4764260 | 0.82 | CYP3A4 (0.43) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4770053 | 0.82 | TSHR (0.41) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4770050 | 0.82 | TSHR (0.41) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4762739 | 0.79 | ALDH1A1 (0.42) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4762740 | 0.79 | ALDH1A1 (0.42) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4771659 | 0.78 | ALDH1A1 (0.42) | TSHRLMNAALDH1A1MEN1MAPT | |
| SCHEMBL4771661 | 0.78 | ALDH1A1 (0.42) | TSHRLMNAALDH1A1MEN1MAPT | |
| SCHEMBL4763964 | 0.78 | TSHR (0.43) | TSHRLMNAPOLBALDH1A1MEN1 | |
| SCHEMBL4763962 | 0.78 | TSHR (0.43) | TSHRLMNAPOLBALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |