Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TNF | P01375 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28895783 | 0.83 | ALDH1A1 (0.71) | CYP3A4ALDH1A1TNFMAPTLMNA | |
| Phenanthrene SCHEMBL28062390 | 0.83 | ALDH1A1 (0.77) | CYP3A4ALDH1A1MAPTLMNANPC1 | |
| SCHEMBL27631995 | 0.83 | HPRT1 (0.64) | ALDH1A1TNFMAPTLMNANPC1 | |
| SCHEMBL443518 | 0.83 | HPRT1 (0.64) | ALDH1A1TNFMAPTLMNANPC1 | |
| Quinoline SCHEMBL28340669 | 0.82 | TNF (0.77) | CYP3A4ALDH1A1TNFMAPTNPC1 | |
| Pyrazine SCHEMBL28948429 | 0.82 | TNF (0.61) | CYP3A4ALDH1A1TNFMAPTLMNA | |
| SCHEMBL4658401 | 0.81 | CA12 (0.59) | CYP3A4TNFMAPTCA12CA1 | |
| Phenanthrene SCHEMBL28090206 | 0.81 | ALDH1A1 (0.74) | CYP3A4ALDH1A1MAPTLMNANPC1 | |
| SCHEMBL27620091 | 0.81 | HPRT1 (0.67) | CYP3A4ALDH1A1TNFMAPTLMNA | |
| Quinoline SCHEMBL28782130 | 0.81 | CYP3A4 (0.50) | CYP3A4ALDH1A1TNFMAPTLMNA |
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-105949177-A | Preparation and electronic device | 默克专利有限公司 | 2016-09-21 | — | — | CN | disclosed |