Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6895271 | 0.90 | ESR1 (0.61) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6898203 | 0.90 | ESR1 (0.61) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6899562 | 0.89 | ESR1 (0.62) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7055570 | 0.84 | ESR1 (0.69) | ESR1ESR2HTTMCHR1 | |
| SCHEMBL8173325 | 0.80 | ESR1 (0.59) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7509413 | 0.80 | ESR1 (0.76) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7504460 | 0.80 | ESR1 (0.76) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8501561 | 0.79 | ESR1 (0.58) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7953075 | 0.79 | ESR1 (0.75) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7500496 | 0.79 | ESR1 (0.75) | ESR1ESR2NPSR1ALDH1A1SMN1; SMN2 |
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-6316494-B1 | FOR THERAPY AND PROPHYLAXIS OF BONE LOSS, OSTEOPOROSIS, CARDIOVASCULAR DISEASES, COGNITIVE DISORDERS, MENOPAUSAL SYMPTOMS, INCONTINENCE, OBESITY, DYSMENORRHEA, DYSFUNCTIONAL UTERINE BLEEDING, ACNE, HIRSUTISM, POST-PARTUM LACTATION | NOVO NORDISK A/S (DK) | 2001-11-13 | — | — | US | disclosed |