Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | QDPR | P09417 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8976520 | 0.82 | PTGS1 (0.35) | ALDH1A1NPC1RAB9APTGS2 | |
| SCHEMBL8976063 | 0.82 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9APTGS2 | |
| SCHEMBL31668778 | 0.72 | CYP19A1 (0.32) | CYP19A1ESR2ESR1ALDH1A1LMNA | |
| SCHEMBL1515973 | 0.68 | NPC1 (0.70) | SMN1; SMN2ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL28081373 | 0.67 | QDPR (0.44) | SMN1; SMN2CYP19A1ESR2ESR1QDPR | |
| SCHEMBL959235 | 0.66 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL16322256 | 0.66 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL1516156 | 0.66 | HSD17B1 (0.43) | ESR2ESR1QDPRALDH1A1SENP1 | |
| SCHEMBL16321921 | 0.65 | POLB (0.33) | CYP19A1 | |
| SCHEMBL4329065 | 0.65 | CYP19A1 (0.32) | SMN1; SMN2CYP19A1RAB9A |
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-5571831-A | FUNGICIDE, AROMATASE INHIBITOR, ANTITUMOR | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-11-05 | — | — | US | disclosed |
| US-5547973-A | AZOLE MODIFIED CYCLOHEXANOL; ANTITUMOR AGENT | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |