Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL31008661 | 0.81 | P2RX7 (0.37) | HSP90AA1P2RX7HRH4ALDH1A1NPC1 | |
| SCHEMBL28675951 | 0.81 | P2RX7 (0.37) | HSP90AA1P2RX7HRH4ALDH1A1NPC1 | |
| SCHEMBL1153882 | 0.81 | HSP90AA1 (0.40) | HSP90AA1P2RX7HRH4CA2CA12 | |
| SCHEMBL4184428 | 0.76 | HRH1 (0.57) | CA2CA1ALDH1A1NPC1RAB9A | |
| Potassium SCHEMBL4063307 | 0.74 | HRH1 (0.55) | CA2CA1ALDH1A1NPC1RAB9A | |
| SCHEMBL4063300 | 0.74 | HRH1 (0.55) | CA2CA1ALDH1A1NPC1RAB9A | |
| SCHEMBL1661146 | 0.74 | — | — | |
| SCHEMBL16399930 | 0.74 | — | — | |
| SCHEMBL28629862 | 0.74 | KMT2A (0.63) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29924865 | 0.74 | KMT2A (0.63) | ALDH1A1NPC1RAB9AKMT2AMEN1 |
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 6 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 |
| EP-2049494-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008008310-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-17 | — | — | WO | disclosed |
| EP-1735284-A1 | N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES | Pfizer Limited (GB) | 2006-12-27 | — | — | EP | disclosed |
| WO-2005090313-A1 | N-(1-ARYLPYRAZOL-4L)SULFONAMIDES AND THEIR USE AS PARASITICIDES | PFIZER LIMITED (GB) | 2005-09-29 | — | — | WO | disclosed |