Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 5/20 | 0.51 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30740936 | 0.84 | TSHR (0.70) | SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL31520156 | 0.84 | TSHR (0.70) | SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL403025 | 0.84 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1MAPTL3MBTL1RAB9A | |
| SCHEMBL402764 | 0.84 | TSHR (0.50) | ALDH1A1MAPTL3MBTL1TSHRHTT | |
| SCHEMBL403251 | 0.82 | NOTUM (0.42) | SMN1; SMN2ALDH1A1MAPTL3MBTL1TSHR | |
| SCHEMBL398872 | 0.82 | BPTF (0.56) | SMN1; SMN2ALDH1A1MAPTTSHRHPGD | |
| SCHEMBL4264098 | 0.81 | TUBB1 (0.51) | ALDH1A1MAPTLMNAKMT2AMAPK1 | |
| SCHEMBL4264100 | 0.81 | TUBB1 (0.51) | ALDH1A1MAPTLMNAKMT2AMAPK1 | |
| SCHEMBL23202788 | 0.81 | EGFR (0.48) | ALDH1A1MAPTL3MBTL1TSHRLMNA | |
| SCHEMBL644548 | 0.80 | EGFR (0.47) | SMN1; SMN2ALDH1A1MAPTL3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |