Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28850433 | 0.86 | CA4 (0.52) | ESR2CYP3A4MEN1KMT2ANPC1 | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL10922424 | 0.85 | ESR1 (0.56) | ESR1ESR2CYP3A4MEN1KMT2A | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL27611510 | 0.85 | ESR1 (0.64) | ESR1ESR2CYP3A4MEN1KMT2A | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL28214358 | 0.83 | ESR1 (0.67) | ESR1ESR2CYP3A4MEN1KMT2A | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL28256 | 0.83 | — | — | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL29421717 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL9765760 | 0.83 | ACHE (0.66) | MEN1KMT2ANPC1RAB9AMAPT | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL5778012 | 0.82 | ESR1 (0.60) | ESR1ESR2CYP3A4MEN1KMT2A | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL27470118 | 0.82 | ESR1 (0.60) | ESR1ESR2CYP3A4MEN1KMT2A | |
| Acrylic Acid SCHEMBL28304089 | 0.81 | CES2 (0.51) | MEN1KMT2ANPC1RAB9ACES2 |
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-105998040-A | Preparation method of medicine for treating cardiovascular disease | 胡小丽 | 2016-10-12 | — | — | CN | claimed |