Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14603373 | 1.00 | HPRT1 (0.40) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL12270474 | 0.88 | ALDH1A1 (0.42) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL10824574 | 0.80 | HPRT1 (0.53) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| Triphenylene SCHEMBL10824566 | 0.80 | HPRT1 (0.53) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL19683512 | 0.80 | MAOA (0.34) | ALDH1A1HPGDMAPTMAOAKMT2A | |
| SCHEMBL19683516 | 0.78 | MAOA (0.33) | ALDH1A1HPGDMAPTMAOAKMT2A | |
| SCHEMBL1006251 | 0.76 | HPRT1 (0.57) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| Triphenylene SCHEMBL25597 | 0.76 | HPRT1 (0.57) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| Triphenylene SCHEMBL311118 | 0.76 | HPRT1 (0.57) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL31467394 | 0.76 | HPRT1 (0.57) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |