Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288669 | 0.74 | HTT (0.41) | ALDH1A1NPC1HTTPPARGRAB9A | |
| SCHEMBL7296162 | 0.74 | MAPK1 (0.35) | ALDH1A1NPC1HTTPPARGRAB9A | |
| Hydrochloric Acid SCHEMBL7290256 | 0.72 | METAP1 (0.46) | — | |
| SCHEMBL11533101 | 0.67 | KMT2A (0.40) | ALDH1A1NPC1HTTPPARGRAB9A | |
| SCHEMBL7373118 | 0.63 | MAPK1 (0.39) | ALDH1A1NPC1HTTPPARGRAB9A | |
| SCHEMBL9348168 | 0.63 | TP53 (0.40) | ALDH1A1HTTHPGD | |
| SCHEMBL10562759 | 0.59 | KDM4E (0.53) | HTTPPARGRAB9AHPGD | |
| SCHEMBL10539247 | 0.56 | KMT2A (0.38) | — | |
| SCHEMBL2535546 | 0.55 | OR51E2 (0.32) | — | |
| SCHEMBL566998 | 0.55 | MAPK1 (0.43) | ALDH1A1NPC1HTTPPARGRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103980289-A | Thieno-thiopyrano pyrazole compound and pharmaceutical applications thereof | UNIV SHENYANG PHARMACEUTICAL | 2014-08-13 | — | — | CN | disclosed |
| CN-103626787-A | Thienothio compound and application thereof | UNIV SHENYANG PHARMACEUTICAL | 2014-03-12 | — | — | CN | disclosed |