Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4896796 | 1.00 | MEN1 (0.54) | MEN1KMT2AACHESIGMAR1BCHE | |
| SCHEMBL6045689 | 0.92 | MEN1 (0.62) | MEN1KMT2AACHESIGMAR1BCHE | |
| SCHEMBL14724848 | 0.84 | OPRM1 (0.53) | MEN1KMT2AACHESIGMAR1BCHE | |
| Ammonia Solution, Strong SCHEMBL28610050 | 0.82 | ROCK2 (0.47) | MEN1KMT2AACHESIGMAR1BCHE | |
| SCHEMBL7583523 | 0.82 | MEN1 (0.58) | MEN1KMT2AACHESIGMAR1BCHE | |
| SCHEMBL31328434 | 0.82 | DRD4 (0.47) | MEN1KMT2ASIGMAR1HTR6CYP1A2 | |
| SCHEMBL31328423 | 0.82 | DRD4 (0.47) | MEN1KMT2ASIGMAR1HTR6CYP1A2 | |
| SCHEMBL331200 | 0.79 | KDM4E (0.48) | ACHESIGMAR1BCHEBACE1CYP1A2 | |
| SCHEMBL6023725 | 0.78 | MEN1 (0.68) | MEN1KMT2AACHESIGMAR1BCHE | |
| SCHEMBL22755777 | 0.78 | MEN1 (0.68) | MEN1KMT2AACHESIGMAR1BCHE |
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 |