Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 8/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11489323 | 0.91 | PYCR1 (0.36) | ESR1ESR2PYCR1GCGRCYP17A1 | |
| SCHEMBL11479694 | 0.87 | MMP13 (0.38) | ESR1ESR2HTR7HDAC3HDAC1 | |
| SCHEMBL11483604 | 0.86 | HDAC3 (0.39) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL11480121 | 0.85 | RORC (0.42) | ESR1ESR2GCGRCNR2 | |
| SCHEMBL11492645 | 0.85 | POLB (0.43) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL11480873 | 0.85 | ESR1 (0.37) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL11589282 | 0.84 | CYP17A1 (0.40) | PYCR1GCGRCYP17A1CYP3A4 | |
| SCHEMBL11480590 | 0.82 | NPC1 (0.47) | GCGRHDAC3HDAC1HDAC2 | |
| SCHEMBL9000665 | 0.79 | CHRM2 (0.43) | ESR1ESR2GAA | |
| SCHEMBL11480169 | 0.78 | LTA4H (0.35) | ESR1ESR2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | claimed |
| 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 |