Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8370867 | 0.78 | CXCR2 (0.42) | ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7894173 | 0.78 | LOXL2 (0.44) | CYP19A1EPHX2 | |
| SCHEMBL8668084 | 0.73 | GRIA1 (0.39) | CYP19A1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL8665101 | 0.72 | ABCC9 (0.37) | GRIA1GRIA2GRIA3GRIA4CTSL | |
| SCHEMBL8667527 | 0.72 | ABCC9 (0.51) | GRIA1GRIA2GRIA3GRIA4ABCC9 | |
| SCHEMBL8664139 | 0.71 | ABCC9 (0.37) | CYP19A1GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL18235921 | 0.70 | HDAC6 (0.40) | CYP19A1 | |
| SCHEMBL9091919 | 0.65 | CXCR2 (0.47) | — | |
| SCHEMBL25916614 | 0.61 | KDM4E (0.48) | CYP19A1EPHX2 | |
| SCHEMBL14464991 | 0.61 | KIF11 (0.44) | CYP19A1 |
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-5846999-A | Substituted N-arylmethylamino derivatives of cyclobutene-3,4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-12-08 | — | — | US | claimed |
| US-5846999-A | Substituted N-arylmethylamino derivatives of cyclobutene-3,4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-12-08 | — | — | US | disclosed |