Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2400879 | 0.91 | POLB (0.48) | ALDH1A1KMT2AMEN1POLBAKR1C3 | |
| SCHEMBL6409957 | 0.84 | KMT2A (0.45) | ALDH1A1KMT2AMEN1MAPK1L3MBTL1 | |
| SCHEMBL2404658 | 0.81 | POLB (0.41) | ALDH1A1KMT2AMEN1MAPK1POLB | |
| SCHEMBL2402632 | 0.80 | ALDH1A1 (0.62) | ALDH1A1KMT2AMEN1MAPK1L3MBTL1 | |
| SCHEMBL2400977 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1MAPK1L3MBTL1 | |
| SCHEMBL2400415 | 0.79 | MEN1 (0.46) | ALDH1A1KMT2AMEN1GAATSHR | |
| SCHEMBL2404605 | 0.79 | L3MBTL1 (0.47) | ALDH1A1L3MBTL1POLBGAASMN1; SMN2 | |
| SCHEMBL2400732 | 0.76 | MEN1 (0.45) | ALDH1A1KMT2AMEN1POLBGAA | |
| SCHEMBL6411481 | 0.76 | POLB (0.44) | ALDH1A1KMT2AMEN1POLBGAA | |
| SCHEMBL2403699 | 0.76 | MAPK1 (0.52) | ALDH1A1KMT2AMEN1MAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8048890-B2 | Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |