Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6057420 | 0.87 | ESR1 (0.59) | ESR1BCHEACHEMAPTALDH1A1 | |
| SCHEMBL17100248 | 0.83 | MAPT (0.49) | MAPTRAB9AKMT2APSMB1PSMB5 | |
| SCHEMBL17100152 | 0.82 | PPARA (0.45) | MAPTPSMB1PSMB5LTA4H | |
| SCHEMBL7598659 | 0.81 | ESR1 (0.69) | ESR1BCHEACHEMAPTALDH1A1 | |
| SCHEMBL4729221 | 0.81 | ESR1 (0.62) | ESR1BCHEACHEMAPTALDH1A1 | |
| SCHEMBL5727095 | 0.80 | KDM4E (0.64) | ESR1BCHEACHEMAPTALDH1A1 | |
| SCHEMBL5726049 | 0.80 | HRH3 (0.68) | ESR1BCHEACHEMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL10536254 | 0.80 | ESR1 (0.67) | ESR1BCHEACHEMAPTALDH1A1 | |
| SCHEMBL6057567 | 0.79 | ALDH1A1 (0.63) | BCHEACHEALDH1A1HRH3THRA | |
| SCHEMBL17100137 | 0.76 | PPARA (0.42) | MAPTRAB9AKMT2APSMB1PSMB5 |
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-5948796-A | OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS | ELI LILLY AND COMPANY (US) | 1999-09-07 | — | — | US | disclosed |