Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2 | P11137 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14746573 | 0.86 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1GAAALOX15 | |
| SCHEMBL26633297 | 0.86 | MAOA (0.44) | MAP2ADORA2AADORA1CYP3A4ALDH1A1 | |
| SCHEMBL20108664 | 0.78 | GABRP (0.41) | CYP3A4ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL28007815 | 0.77 | HTT (0.47) | ADORA2AADORA1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL17402907 | 0.77 | CYP3A4 (0.45) | ADORA2AADORA1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL16014764 | 0.75 | PTGS2 (0.55) | — | |
| SCHEMBL8974389 | 0.74 | MAP2 (0.50) | MAP2GAAHTTTSHRKDM4E | |
| SCHEMBL16013714 | 0.74 | CYP3A4 (0.39) | ADORA2AADORA1CYP3A4ALDH1A1TDP1 | |
| SCHEMBL14747016 | 0.74 | THRB (0.44) | CYP3A4ALDH1A1TDP1GAAALOX15 | |
| SCHEMBL14744163 | 0.74 | CYP3A4 (0.42) | CYP3A4ALDH1A1HTTTAAR1TSHR |
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-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |