Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.90 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.90 |
| ▸ | MMP3 | P08254 | 1/20 | 0.90 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.90 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.90 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.90 |
| ▸ | LOX | P28300 | 1/20 | 0.90 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.90 |
| ▸ | RAB9A | P51151 | 1/20 | 0.90 |
| ▸ | GFER | P55789 | 1/20 | 0.90 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.90 |
| ▸ | LOXL4 | Q96JB6 | 1/20 | 0.90 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.90 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19900041 | 1.00 | ESR1 (0.90) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| SCHEMBL8333927 | 1.00 | ESR1 (0.90) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| SCHEMBL144753 | 0.97 | — | — | |
| SCHEMBL435760 | 0.97 | ESR1 (0.95) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| SCHEMBL671872 | 0.97 | ESR1 (0.95) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| SCHEMBL2039329 | 0.97 | ESR1 (0.95) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| SCHEMBL24755 | 0.95 | — | — | |
| SCHEMBL2427022 | 0.95 | ESR1 (1.00) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| Zinc Ion SCHEMBL22371398 | 0.93 | ESR1 (0.86) | ESR1HSP90AA1MMP3CHRM1TBXA2R | |
| Iodide SCHEMBL1411907 | 0.93 | ESR1 (0.86) | ESR1HSP90AA1MMP3CHRM1TBXA2R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003028762-A1 | NOVEL ANTIMICROBIAL RESISTANCE BLOCKING COMPOSITIONS | ETHICON, INC. (US) | 2003-04-10 | — | — | WO | disclosed |
| US-5518774-A | ZINC COMPOUNDS AND PYRITHIONE SALTSWITH WATER AND BASE | OLIN CORPORATION (US) | 1996-05-21 | — | — | US | disclosed |