Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.48 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.47 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960719 | 0.80 | AR (0.39) | ARCNR1CNR2POLBSMN1; SMN2 | |
| SCHEMBL7372932 | 0.72 | SMN1; SMN2 (0.52) | ARABCB1KDM4EMAPTALDH1A1 | |
| SCHEMBL6965413 | 0.71 | DAO (0.44) | KDM4EMAPTALDH1A1CNR2GAA | |
| SCHEMBL6959378 | 0.70 | PTPN1 (0.41) | KDM4EALDH1A1CNR2GAAPOLB | |
| SCHEMBL6176076 | 0.69 | SMN1; SMN2 (0.50) | ARABCB1KDM4EMAPTALDH1A1 | |
| SCHEMBL8535881 | 0.68 | ABCB1 (0.45) | ARABCB1VKORC1NQO1KDM4E | |
| SCHEMBL31658302 | 0.68 | AR (0.42) | ARHSD17B3ESR1VKORC1MAPT | |
| SCHEMBL8116897 | 0.66 | SMN1; SMN2 (0.52) | ARHSD17B3ABCB1KDM4EMAPT | |
| SCHEMBL30634707 | 0.66 | PPARG (0.53) | ALDH1A1 | |
| SCHEMBL6955608 | 0.64 | SMN1; SMN2 (0.50) | ARHSD17B3ABCB1KDM4EMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6005103-A | TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS | WARNER-LAMBERT COMPANY (US) | 1999-12-21 | — | — | US | disclosed |