Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.75 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.75 |
| ▸ | ABL1 | P00519 | 2/20 | 0.63 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.63 |
| ▸ | BCR | P11274 | 2/20 | 0.63 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.61 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30026138 | 1.00 | ESR1 (0.75) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL15835645 | 0.91 | ESR1 (0.68) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL2699234 | 0.86 | ESR1 (1.00) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL29991899 | 0.86 | ESR1 (1.00) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL5425451 | 0.86 | ESR2 (0.90) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL30275026 | 0.86 | ESR2 (0.90) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL4357165 | 0.85 | ABL1 (0.67) | ESR1ESR2ABL1ABCB1BCR | |
| Methane SCHEMBL5526746 | 0.84 | ESR1 (0.95) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL3015072 | 0.82 | ABL1 (0.74) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL14417351 | 0.82 | ESR2 (0.71) | ESR1ESR2ABL1ABCB1BCR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111732508-B | Synthesis method of spiro compound | 华东师范大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-111732508-A | Synthesis method of spiro compound | 华东师范大学 | 2020-10-02 | — | — | CN | disclosed |
| US-20070212569-A1 | ORGANOMETALLIC COMPLEX FOR ORGANIC LIGHT-EMITTING LAYER AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME | SFC CO., LTD. (KR) | 2007-09-13 | — | — | US | disclosed |
| WO-2004024060-A2 | METALLOPROTEINASE INHIBITORS AND INTERMEDIATES FOR PREPARATION THEREOF | ASTRAZENECA AB (SE) | 2004-03-25 | — | — | WO | disclosed |