Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | USP2 | O75604 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | CASP1 | P29466 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.71 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.71 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | TACR2 | P21452 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13763215 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL10945879 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9778996 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9357898 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL10569132 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL29084660 | 1.00 | ALDH1A1 (0.71) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL27447908 | 0.98 | ALDH1A1 (0.68) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL9215261 | 0.98 | ALDH1A1 (0.73) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL10568723 | 0.96 | ALDH1A1 (0.67) | ALDH1A1LMNACYP3A4MEN1USP2 | |
| SCHEMBL17060482 | 0.96 | MEN1 (0.66) | ALDH1A1LMNACYP3A4MEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1326840-C | 1-substituted-4-nitroimidazole compounds and process for preparing same | OTSUKA PHARMA CO LTD (JP) | 2007-07-18 | — | — | CN | disclosed |
| CN-1692103-A | 1-substituted-4-nitroimidazole compounds and process for preparing same | OTSUKA PHARMA CO LTD (JP) | 2005-11-02 | — | — | CN | disclosed |
| CN-1036394-C | Process for preparing quinolone derivatives | OTSUKA PHARMA CO LTD (JP) | 1997-11-12 | — | — | CN | disclosed |
| CN-1091288-A | The oxytocin antagonist | OTSUKA PHARMA CO LTD (JP) | 1994-08-31 | — | — | CN | disclosed |
| CN-1046529-A | Carbostyril derivative | OTSUKA PHARMA CO LTD (JP) | 1990-10-31 | — | — | CN | disclosed |