Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL11216689 | 0.86 | ESR1 (0.32) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11114746 | 0.85 | ESR2 (0.44) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11209779 | 0.85 | CYP3A4 (0.30) | TSHRHSD17B10MEN1KMT2ACYP3A4 | |
| SCHEMBL11215414 | 0.85 | HSD17B10 (0.36) | TSHRHSD17B10MEN1KMT2ACYP3A4 | |
| SCHEMBL11113222 | 0.85 | ESR2 (0.44) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11214339 | 0.84 | ESR2 (0.46) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11211308 | 0.83 | ESR2 (0.34) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11211989 | 0.82 | ESR2 (0.34) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11215443 | 0.82 | ESR2 (0.48) | ESR1ESR2TSHRHSD17B10MEN1 | |
| SCHEMBL11214119 | 0.82 | ESR2 (0.36) | ESR1ESR2TSHRHSD17B10MEN1 |
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-4337354-A | BRAIN AND SPINAL CHORD DAMAGE | MERCK & CO., INC. (US) | 1982-06-29 | — | — | US | disclosed |
| US-4317922-A | [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives | MERCK & CO., INC. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4316043-A | ANTIEDEMIC AGENTS | MERCK & CO., INC. (US) | 1982-02-16 | — | — | US | disclosed |