Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7607698 | 0.85 | BACE1 (0.45) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL7606227 | 0.83 | HDAC3 (0.51) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL8127646 | 0.77 | HDAC1 (0.53) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL24323598 | 0.76 | BACE1 (0.62) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL29059512 | 0.76 | BACE1 (0.62) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL18191672 | 0.76 | HDAC3 (0.55) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL24324611 | 0.76 | HDAC3 (0.52) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL15311357 | 0.76 | HDAC3 (0.52) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL1235983 | 0.76 | HDAC3 (0.52) | BACE1HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL1799264 | 0.75 | BACE1 (0.49) | BACE1HDAC3HDAC1HDAC2NCOR2 |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |