Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 8/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.38 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14924467 | 0.84 | CYP3A4 (0.41) | CYP3A4CYP2D6HRH1KCNH2L3MBTL3 | |
| Hydrochloric Acid SCHEMBL28026821 | 0.81 | L3MBTL3 (0.51) | CYP3A4CYP2D6HRH1KCNH2L3MBTL3 | |
| SCHEMBL14923980 | 0.81 | HRH3 (0.46) | CYP3A4CYP2D6HRH1KCNH2TP53 | |
| SCHEMBL14924422 | 0.76 | LRRK2 (0.41) | CYP3A4CYP2D6HRH1KCNH2L3MBTL3 | |
| SCHEMBL14924423 | 0.76 | LRRK2 (0.41) | CYP3A4CYP2D6HRH1KCNH2L3MBTL3 | |
| Ethylbenzene SCHEMBL11149930 | 0.76 | CYP3A4 (0.41) | CYP3A4CYP2D6HRH1KCNH2TP53 | |
| SCHEMBL29658614 | 0.75 | CYP3A4 (0.40) | CYP3A4CYP2D6HRH1KCNH2 | |
| SCHEMBL5200511 | 0.73 | MAPT (0.45) | CYP3A4CYP2D6HRH1KCNH2TP53 | |
| SCHEMBL10263761 | 0.73 | L3MBTL3 (0.73) | L3MBTL3L3MBTL1MBTD1TP53BP1KMT2A | |
| SCHEMBL14923987 | 0.73 | HRH3 (0.42) | CYP3A4CYP2D6HRH1KCNH2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE46511-E1 | Fused pyrimidine derivatives for inhibition of tyrosine kinase activity | HANMI SCIENCE CO., LTD. (KR) | 2017-08-15 | — | — | US | disclosed |