Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL8562282 | 0.78 | ESR1 (0.35) | ESR1ESR2KMT2AALDH1A1TSHR | |
| SCHEMBL8561721 | 0.73 | ESR1 (0.40) | ESR1ESR2HDAC6KMT2AHDAC8 | |
| SCHEMBL8561377 | 0.73 | ESR1 (0.41) | ESR1ESR2HDAC6ALDH1A1SLC2A1 | |
| SCHEMBL8563245 | 0.72 | ESR1 (0.38) | ESR1ESR2HDAC6SMN1; SMN2ABHD6 | |
| SCHEMBL8565997 | 0.71 | ESR1 (0.40) | ESR1ESR2HDAC6SMN1; SMN2HDAC8 | |
| SCHEMBL8558357 | 0.71 | ESR1 (0.37) | ESR1ESR2HDAC6 | |
| SCHEMBL8563060 | 0.70 | HDAC1 (0.45) | ESR1ESR2HDAC6 | |
| SCHEMBL8566035 | 0.70 | ESR1 (0.40) | ESR1ESR2HDAC6SMN1; SMN2ACACB | |
| SCHEMBL8559515 | 0.69 | HTR6 (0.39) | — | |
| SCHEMBL5359582 | 0.68 | ESR1 (0.65) | ESR1ESR2HDAC6HDAC8MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |