Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | 0.75 | ESR1 (0.35) | ESR1ESR2TMEM97SIGMAR1ALDH1A1 | |
| SCHEMBL8565993 | 0.73 | ESR1 (0.40) | ESR1ESR2HDAC6ABHD6ALDH1A1 | |
| SCHEMBL8567198 | 0.70 | ESR1 (0.43) | ESR1ESR2HDAC6ALDH1A1MAPT | |
| SCHEMBL8567193 | 0.70 | ESR1 (0.43) | ESR1ESR2HDAC6ALDH1A1MAPT | |
| SCHEMBL8563245 | 0.69 | ESR1 (0.38) | ESR1ESR2TMEM97SIGMAR1HDAC6 | |
| SCHEMBL8558357 | 0.68 | ESR1 (0.37) | ESR1ESR2HDAC6 | |
| SCHEMBL8559515 | 0.66 | HTR6 (0.39) | TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8563487 | 0.65 | HTR6 (0.39) | TMEM97SIGMAR1 | |
| SCHEMBL506139 | 0.63 | ESR1 (0.59) | ESR1ESR2ABHD6ALDH1A1MAPT | |
| SCHEMBL2309023 | 0.63 | ESR1 (0.85) | ESR1ESR2HDAC6ABHD6 |
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 |