Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.49 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL23225374 | 0.92 | ALDH1A1 (0.58) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2322360 | 0.92 | DRD2 (0.55) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4278988 | 0.92 | DRD2 (0.55) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6584141 | 0.92 | DRD2 (0.55) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL21216229 | 0.92 | ALDH1A1 (0.58) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4423267 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5091037 | 0.91 | SIGMAR1 (0.54) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL238565 | 0.90 | DRD2 (0.57) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3563415 | 0.90 | DRD2 (0.57) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL2327650 | 0.90 | DRD2 (0.57) | ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131246-A1 | SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS | ASTELLAS PHARMA INC. (JP) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009131246-A1 | SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS | ASTELLAS PHARMA INC. (JP) | 2009-10-29 | — | — | WO | disclosed |
| CN-1611499-A | Heterocyclic compounds as inhibitors of rotamase enzymes | PFIZER (US) | 2005-05-04 | — | — | CN | disclosed |
| CN-1174978-C | Heterocyclic compounds useful as rotamase inhibitors | — | 2004-11-10 | — | — | CN | disclosed |
| CN-1511837-A | Intermediate for heterocyclic compound in preparing rotamase inhibitor | — | 2004-07-14 | — | — | CN | disclosed |