Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | HPGD | P15428 | 2/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698045 | 0.87 | ALDH1A1 (0.56) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8700563 | 0.84 | ALDH1A1 (1.00) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8698924 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8696746 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8701706 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8703467 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8471293 | 0.73 | KDM4E (0.68) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL14565098 | 0.72 | ALDH1A1 (0.79) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8699703 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2GLASIGMAR1 | |
| SCHEMBL8703947 | 0.71 | MIF (0.41) | ALDH1A1HPGDSMN1; SMN2KDM4EMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998025913-A1 | NOVEL SUBSTITUTED 3H -BENZOXAZOLE-2-THIONES AND 3H -BENZOTHIAZOLE-2 THIONES DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1998-06-18 | — | — | WO | disclosed |