Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.58 |
| ▸ | MIF | P14174 | 4/20 | 0.54 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.54 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20165138 | 0.89 | ESR1 (0.54) | ESR1ESR2MIFCYP26A1KDM4E | |
| SCHEMBL29756936 | 0.89 | ESR1 (0.54) | ESR1ESR2MIFCYP26A1KDM4E | |
| SCHEMBL29632065 | 0.85 | ESR1 (0.46) | ESR1ESR2MIFCYP26A1CYP24A1 | |
| SCHEMBL20211917 | 0.85 | ESR1 (0.46) | ESR1ESR2MIFCYP26A1CYP24A1 | |
| SCHEMBL7623247 | 0.83 | ESR1 (0.75) | ESR1ESR2MIFCYP26A1EBP | |
| SCHEMBL18850173 | 0.83 | ESR1 (0.52) | ESR1ESR2MIFGAAMAPT | |
| SCHEMBL115122 | 0.83 | EBP (0.47) | ESR1ESR2MIFCYP26A1CYP24A1 | |
| SCHEMBL7633352 | 0.83 | MIF (0.48) | ESR1ESR2MIFCYP26A1CYP27A1 | |
| SCHEMBL23297257 | 0.81 | EBP (0.51) | ESR1MIFCYP26A1CYP27A1MAPT | |
| SCHEMBL18845516 | 0.81 | ESR1 (0.51) | ESR1ESR2MIFALKBH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0955286-B1 | Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity | AVENTIS PHARMA SA (FR) | 2002-08-07 | — | — | EP | disclosed |
| US-6005003-A | OSTEOPOROSIS TREATMENT | HOECHST MARION ROUSSEL (FR) | 1999-12-21 | — | — | US | disclosed |
| EP-0955286-A1 | Dihydro- or tetrahydronaphthalene derivatives having (anti-)estrogen activity | HOECHST MARION ROUSSEL (FR) | 1999-11-10 | — | — | EP | disclosed |