Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.60 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.60 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071835 | 1.00 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1661081 | 0.90 | TRPV1 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28571160 | 0.84 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4076886 | 0.84 | LMNA (0.64) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL4067164 | 0.84 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL16610101 | 0.84 | GAA (0.66) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL11613978 | 0.83 | ALDH1A1 (1.00) | CYP3A4ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL3342974 | 0.83 | GAA (0.66) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8792470 | 0.82 | ALDH1A1 (0.71) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1894742 | 0.82 | TRPV1 (0.82) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014111113-A1 | ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS | MERCK PATENT GMBH (DE) | 2014-07-24 | — | — | WO | disclosed |
| EP-1415986-B1 | SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2009-04-08 | — | — | EP | disclosed |
| US-7205417-B2 | Spiro compounds | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-04-17 | — | — | US | disclosed |