Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741248 | 0.81 | KDM4E (0.47) | ALDH1A1GAARAB9ASMN1; SMN2MAPT | |
| SCHEMBL1817099 | 0.72 | KMT2A (0.53) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1814123 | 0.71 | LMNA (0.63) | GAAMEN1KMT2AL3MBTL1ALOX12 | |
| SCHEMBL6935548 | 0.69 | ALDH1A1 (0.65) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31465658 | 0.69 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTCYP3A4HPGD | |
| SCHEMBL4739005 | 0.69 | ALDH1A1 (0.65) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15484311 | 0.68 | LMNA (0.69) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28466686 | 0.68 | NPC1 (0.69) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL11919007 | 0.67 | FFAR4 (0.41) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31465694 | 0.67 | CES2 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT |
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-2008077170-A2 | BENZOTHIOAMIDES, AND USE THEREOF FOR RELAXING SMOOTH MUSCLES | Universität Wien (AT) | 2008-07-03 | — | — | WO | disclosed |