Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6591405 | 1.00 | ACHE (0.43) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 | |
| SCHEMBL6589899 | 1.00 | ACHE (0.43) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 | |
| SCHEMBL6589912 | 1.00 | ACHE (0.43) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 | |
| SCHEMBL6591412 | 1.00 | ACHE (0.43) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 | |
| SCHEMBL283868 | 0.88 | ACHE (0.46) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 | |
| SCHEMBL25520733 | 0.86 | STAT3 (0.40) | ACHECYP2D6CYP1A2TSHRCYP3A4 | |
| SCHEMBL18366814 | 0.86 | STAT3 (0.40) | ACHECYP2D6CYP1A2TSHRCYP3A4 | |
| SCHEMBL79261 | 0.85 | ALDH1A1 (0.46) | ACHECYP2D6CYP1A2TSHRCYP3A4 | |
| SCHEMBL15727900 | 0.85 | CYP2D6 (0.43) | ACHECYP2D6CYP1A2TSHRCYP3A4 | |
| SCHEMBL20535944 | 0.84 | CYP2D6 (0.39) | ACHECYP2D6MCOLN3L3MBTL1CYP1A2 |
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-0823423-B1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-06-16 | — | — | EP | disclosed |
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | disclosed |