Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | ESRRG | P62508 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | GBA1 | P04062 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | PRKCG | P05129 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PRKCB | P05771 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1962745 | 0.87 | ESR1 (0.59) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL227233 | 0.87 | ESR1 (0.59) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL10506428 | 0.82 | ESR1 (0.65) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL3773026 | 0.82 | ESR1 (0.65) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL10506418 | 0.82 | ESR1 (0.65) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL6673796 | 0.82 | ESR1 (0.44) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL10379660 | 0.77 | CYP19A1 (0.58) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL30402721 | 0.76 | ESR1 (0.62) | ESR1ESR2MAPTCYP3A4MEN1 | |
| Citric Acid SCHEMBL10954226 | 0.75 | ESR1 (0.68) | ESR1ESR2MAPTCYP3A4MEN1 | |
| SCHEMBL7547715 | 0.74 | ESR1 (0.60) | ESR1ESR2MAPTCYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110698481-B | Heteroaryl pyridone and aza-pyridone amide compounds | 豪夫迈·罗氏有限公司 | 2023-02-28 | — | — | CN | disclosed |