Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CCR4 | P51679 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8936722 | 0.92 | CYP19A1 (0.46) | NLRP3CYP19A1CYP11B1HTR2ASLC6A4 | |
| SCHEMBL8936782 | 0.85 | CYP19A1 (0.40) | NLRP3CYP19A1HTR2ASLC6A4KCNH2 | |
| SCHEMBL9201316 | 0.84 | CYP19A1 (0.46) | CYP19A1CYP11B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL8936731 | 0.82 | NLRP3 (0.39) | NLRP3CYP19A1CYP11B1HTR2ASLC6A4 | |
| SCHEMBL9204708 | 0.81 | CYP19A1 (0.44) | NLRP3CYP19A1CYP11B1HTR2ASLC6A4 | |
| SCHEMBL8936753 | 0.81 | CYP19A1 (0.41) | NLRP3CYP19A1HTR2ASLC6A4KCNH2 | |
| SCHEMBL9201287 | 0.80 | CYP19A1 (0.39) | CYP19A1CYP11B1SCN9AMEN1KMT2A | |
| SCHEMBL9202290 | 0.80 | CYP19A1 (0.39) | CYP19A1CYP11B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL8936723 | 0.80 | CYP19A1 (0.39) | CYP19A1CYP11B1HTR2ASLC6A4KCNH2 | |
| SCHEMBL8936694 | 0.79 | CYP19A1 (0.41) | NLRP3CYP19A1HTR2ASLC6A4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5587392-A | THERAPY FOR ESTROGEN DEPENDENT DISEASES | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| EP-0684235-A1 | Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 1995-11-29 | — | — | EP | disclosed |