Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL11589089 | 0.91 | ALDH1A1 (0.38) | ESR1ESR2SMN1; SMN2MAPTLMNA | |
| SCHEMBL11492460 | 0.87 | LTA4H (0.36) | ESR1ESR2SMN1; SMN2MAPTLMNA | |
| SCHEMBL11483604 | 0.86 | HDAC3 (0.39) | ESR1ESR2SMN1; SMN2POLBHDAC3 | |
| SCHEMBL11492645 | 0.85 | POLB (0.43) | ESR1ESR2SMN1; SMN2POLBHDAC3 | |
| SCHEMBL11479344 | 0.85 | ESR1 (0.37) | ESR1ESR2HDAC3HDAC1HDAC2 | |
| SCHEMBL11486850 | 0.84 | ALDH1A1 (0.33) | TP53ALDH1A1TSHRMAPK1MMP2 | |
| SCHEMBL9000665 | 0.79 | CHRM2 (0.43) | ESR1ESR2SMN1; SMN2LMNAHTT | |
| SCHEMBL11487500 | 0.78 | MAPT (0.36) | ESR1ESR2SMN1; SMN2MAPTLMNA | |
| SCHEMBL11493229 | 0.77 | CYP2A6 (0.39) | ESR1ESR2CNR2NPC1RAB9A | |
| SCHEMBL11480389 | 0.76 | CYP2C9 (0.41) | ESR1ESR2SMN1; SMN2MAPTPOLB |
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 |