Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1456006 | 0.89 | ALDH1A1 (0.38) | CYP2C9SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL11480389 | 0.86 | CYP2C9 (0.41) | CYP2C9KIF11SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL11486850 | 0.84 | ALDH1A1 (0.33) | PYCR1ALDH1A1MMP3MAOB | |
| SCHEMBL11478446 | 0.84 | MEN1 (0.42) | SMN1; SMN2L3MBTL1CYP17A1CYP3A4 | |
| SCHEMBL11589282 | 0.84 | CYP17A1 (0.40) | CYP2C9PYCR1CYP17A1CYP3A4BCL2L1 | |
| SCHEMBL29184892 | 0.84 | CYP2C9 (0.44) | CYP2C9KIF11PTPN5PYCR1ALDH1A1 | |
| SCHEMBL11483604 | 0.83 | HDAC3 (0.39) | CYP2C9KIF11SMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL11480537 | 0.82 | CYP2A6 (0.43) | MAOB | |
| SCHEMBL11492433 | 0.81 | LTA4H (0.44) | CYP2C9SMN1; SMN2MAPTHPGD | |
| SCHEMBL11486048 | 0.81 | NPC1 (0.51) | L3MBTL1MAPTALDH1A1 |
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-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |