Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9374083 | 0.74 | AOC1 (0.40) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL1801743 | 0.73 | HRH3 (0.46) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL5217908 | 0.73 | — | — | |
| SCHEMBL26581877 | 0.73 | HRH3 (0.49) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL6665692 | 0.70 | AOC1 (0.43) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL18550998 | 0.70 | QPCT (0.49) | ESR1CYP19A1HRH3ALDH1A1CYP3A4 | |
| SCHEMBL890216 | 0.70 | — | — | |
| SCHEMBL11033825 | 0.69 | GAA (0.51) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL6664871 | 0.69 | AOC1 (0.42) | AOC1ESR1CYP19A1HRH3TP53 | |
| SCHEMBL12676574 | 0.69 | TP53 (0.51) | AOC1ESR1CYP19A1HRH3TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0603309-A1 | PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-29 | — | — | EP | claimed |
| EP-0603309-A1 | PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-29 | — | — | EP | disclosed |