Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL4352265 | 0.88 | — | — | |
| Butyl Alcohol SCHEMBL28004733 | 0.87 | ALDH1A1 (0.52) | MEN1ESR1KMT2AAPPCYP3A4 | |
| 1-Pentanol SCHEMBL27311993 | 0.85 | SMN1; SMN2 (0.55) | MEN1ESR1KMT2AAPP | |
| SCHEMBL28929274 | 0.82 | — | — | |
| Biphenyl SCHEMBL20583591 | 0.80 | ALDH1A1 (0.53) | BACE1PDCD1CD274 | |
| Propane SCHEMBL27948872 | 0.79 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Propane SCHEMBL27289276 | 0.79 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Propane SCHEMBL27933229 | 0.79 | CYP3A4 (0.46) | MEN1ESR1KMT2AAPPCYP3A4 | |
| Methyl Alcohol SCHEMBL27613845 | 0.78 | — | — | |
| Monoethanolamine SCHEMBL6629882 | 0.78 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104774252-B | Transcription factor PtoMYB115 of specific regulatory tannin synthesis and application thereof | 西南大学 | 2018-02-06 | — | — | CN | disclosed |
| CN-102482611-A | Refrigerator oil and working fluid composition for refrigerator | JX NIPPON OIL & ENERGY CORP | 2012-05-30 | — | — | CN | disclosed |
| WO-2001027234-A1 | CLEANING AGENT COMPONENTS WITH DUAL-CONTROLLED FRAGRANCE RELEASE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-04-19 | — | — | WO | disclosed |