Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11589089 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MAPK1PYCR1TP53TSHR | |
| SCHEMBL11480174 | 0.85 | MAPT (0.38) | ALDH1A1MAPK1PYCR1MMP2MMP9 | |
| SCHEMBL11480902 | 0.84 | CYP2C9 (0.43) | ALDH1A1PYCR1MMP3MAOB | |
| SCHEMBL11480873 | 0.84 | ESR1 (0.37) | ALDH1A1MAPK1TP53TSHRMMP2 | |
| SCHEMBL11478446 | 0.83 | MEN1 (0.42) | MAPK1TSHR | |
| SCHEMBL11589282 | 0.83 | CYP17A1 (0.40) | PYCR1 | |
| SCHEMBL11491296 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPK1PYCR1MMP1MMP2 | |
| SCHEMBL1456006 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL11480537 | 0.74 | CYP2A6 (0.43) | MAOB | |
| SCHEMBL11486048 | 0.73 | NPC1 (0.51) | ALDH1A1 |
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 |