Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 11/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | AADAC | P22760 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1998640 | 0.81 | CYP3A4 (0.52) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL4310481 | 0.81 | ALDH1A1 (0.53) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL29788520 | 0.81 | ATM (0.60) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL31138869 | 0.81 | ALDH1A1 (0.53) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL377777 | 0.81 | ATM (0.60) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL3610741 | 0.79 | TSHR (0.58) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL6119720 | 0.79 | CYP3A4 (0.60) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL213627 | 0.79 | SIRT6 (0.54) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL172213 | 0.79 | TSHR (0.58) | SIRT6ARCYP3A4TSHRLMNA | |
| SCHEMBL11682398 | 0.79 | SIRT6 (0.50) | SIRT6ARCYP3A4TSHRLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108947918-A | A kind of polyimides and preparation method thereof of diamine monomer of the structure containing pyrazine and preparation method thereof and a kind of structure containing pyrazine | 吉林大学 | 2018-12-07 | — | — | CN | disclosed |
| JP-2011173960-A | POLYMER MICELLE TYPE PHOTOSTIMULATION-RESPONSIVE NITROGEN MONOXIDE DONOR | UNIV OF TSUKUBA | 2011-09-08 | — | — | JP | disclosed |