Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.52 |
| ▸ | ACHE | P22303 | 7/20 | 0.51 |
| ▸ | BCHE | P06276 | 7/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775698 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL8093304 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL8093302 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL7775695 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL8088320 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL27489554 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL7138673 | 1.00 | BACE1 (0.52) | BACE1ACHEBCHECYP1A2CYP3A4 | |
| SCHEMBL8215953 | 0.92 | BACE1 (0.49) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL30920094 | 0.91 | ACHE (0.58) | BACE1ACHEBCHECCR3 | |
| Dimethylamine SCHEMBL27829630 | 0.87 | BACE1 (0.53) | BACE1ACHEBCHECYP1A2CYP3A4 |
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-0697015-A1 | OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES | PHARMACIA & UPJOHN COMPANY (US) | 1996-02-21 | — | — | EP | claimed |
| EP-0697015-A1 | OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES | PHARMACIA & UPJOHN COMPANY (US) | 1996-02-21 | — | — | EP | disclosed |