Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382309 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Hydrochloric Acid SCHEMBL1030795 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL8575149 | 0.76 | TP53 (0.46) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL28870261 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL2684480 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL2990802 | 0.72 | MAOB (0.56) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Chloromethane SCHEMBL29048090 | 0.71 | ALDH1A1 (0.44) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL8389964 | 0.71 | SIGMAR1 (0.48) | HPGDTAAR1CYP2A6HTR2ASMN1; SMN2 | |
| SCHEMBL11457819 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL124719 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5514734-A | Polymer nanocomposites comprising a polymer and an exfoliated particulate material derivatized with organo silanes, organo titanates, and organo zirconates dispersed therein and process of preparing same | ALLIEDSIGNAL INC. (US) | 1996-05-07 | — | — | US | disclosed |
| WO-1995006090-A1 | POLYMER NANOCOMPOSITES COMPRISING A POLYMER AND AN EXFOLIATED PARTICULATE MATERIAL DERIVATIZED WITH ORGANO SILANES, ORGANO TITANATES AND ORGANO ZIRCONATES DISPERSED THEREIN AND PROCESS OF PREPARING SAME | ALLIEDSIGNAL INC. (US) | 1995-03-02 | — | — | WO | disclosed |
| US-5385776-A | Polylactams | ALLIEDSIGNAL INC. | 1995-01-31 | — | — | US | disclosed |