Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL6748246 | 0.84 | MEN1 (0.50) | TSHRMEN1ESR1KMT2AAPP | |
| Isopropyl Alcohol SCHEMBL28748226 | 0.81 | MEN1 (0.48) | TSHRMEN1ESR1KMT2AAPP | |
| SCHEMBL11859098 | 0.79 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPPTGS2 | |
| Alcohol SCHEMBL4352265 | 0.78 | — | — | |
| M-Xylene SCHEMBL28804580 | 0.78 | ACHE (0.57) | TSHRCYP3A4CYP2C9CYP1A2CYP2D6 | |
| Isobutanol SCHEMBL9506669 | 0.77 | TSHR (0.47) | TSHRMEN1ESR1KMT2AAPP | |
| Propane SCHEMBL5855406 | 0.76 | PTGS2 (0.45) | TSHRPTGS2CYP2A6TRPA1BCL2 | |
| Propane SCHEMBL27948872 | 0.75 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPPTGS2 | |
| Propane SCHEMBL27289276 | 0.75 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Propane SCHEMBL27933229 | 0.75 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 |
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-105939761-A | Extended release fragrance compositions | 雅芳产品公司 | 2016-09-14 | — | — | CN | disclosed |