Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | GOT1 | P17174 | 1/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29512554 | 0.81 | CYP1A2 (0.44) | CYP1A2CTDSP1P2RX7CYP2C9NAMPT | |
| SCHEMBL1074917 | 0.81 | CYP1A2 (0.46) | CYP1A2CTDSP1P2RX7CYP2C9NAMPT | |
| SCHEMBL3079246 | 0.77 | CYP1A2 (0.47) | CYP1A2CTDSP1P2RX7CYP2C9NAMPT | |
| SCHEMBL4184428 | 0.76 | HRH1 (0.57) | CYP1A2CA2ALDH1A1NPC1RAB9A | |
| Potassium SCHEMBL4063307 | 0.74 | HRH1 (0.55) | CYP1A2CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL4063300 | 0.74 | HRH1 (0.55) | CYP1A2CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL6241871 | 0.74 | — | — | |
| SCHEMBL2305111 | 0.74 | — | — | |
| SCHEMBL18854185 | 0.73 | CYP1A2 (0.44) | CYP1A2CTDSP1P2RX7CYP2C9NAMPT | |
| SCHEMBL5407176 | 0.71 | CYP1A2 (0.43) | CYP1A2CTDSP1P2RX7CYP2C9NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049494-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | claimed |
| WO-2008008310-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-17 | — | — | WO | claimed |