Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.69 |
| ▸ | ENPP3 | O14638 | 5/20 | 0.68 |
| ▸ | ENPP1 | P22413 | 5/20 | 0.67 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.65 |
| ▸ | STS | P08842 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | PLD2 | O14939 | 1/20 | 0.64 |
| ▸ | KDM1A | O60341 | 1/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.64 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4653105 | 1.00 | ESR1 (0.69) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL8442470 | 1.00 | ESR1 (0.69) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL4653095 | 0.99 | ESR1 (0.70) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL4651812 | 0.97 | ESR1 (0.71) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL4651711 | 0.96 | ESR1 (0.69) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| Hydrochloric Acid SCHEMBL7946095 | 0.95 | ESR1 (0.69) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL4650889 | 0.94 | ESR1 (0.66) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL8437216 | 0.94 | ENPP3 (0.72) | ESR1ESR2ENPP3ENPP1ABCC1 | |
| SCHEMBL4651801 | 0.93 | ESR1 (0.75) | ESR1ESR2ABCC1STSMEN1 | |
| Hydrochloric Acid SCHEMBL7946173 | 0.92 | ESR1 (0.74) | ESR1ESR2ABCC1STSMEN1 |
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-6121292-A | BY ADMINSTERING A SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE, INDOLE, OR (DIHYDRO)NAPHTHYLENE, OF GIVEN FORMULA SUCH AS (6-(N-BUTYLSULFONOYL)-2-(4(N-BUTYLSULFONYL)PHENYL)BENZO(B)-THIEN-3-YL)(4(2 -(1-PIPERIDINYL)ETHOXY)PHENYL)METHANONE | ELI LILLY AND COMPANY (US) | 2000-09-19 | — | — | US | claimed |