Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 3/20 | 0.51 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL13968243 | 0.72 | KMT2A (0.48) | FLT3IRAK4KMT2AAURKATSHR | |
| SCHEMBL4044461 | 0.71 | JAK2 (0.53) | FLT3IRAK4AURKAMAPK10ALDH1A1 | |
| SCHEMBL4037629 | 0.70 | FLT3 (0.55) | FLT3KMT2AKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5896060 | 0.69 | MERTK (0.50) | FLT3IRAK4IDO1KMT2ATSHR | |
| SCHEMBL4040821 | 0.68 | FLT3 (1.00) | FLT3IRAK4IDO1AURKATSHR | |
| SCHEMBL20857942 | 0.65 | IDO1 (0.55) | FLT3IRAK4IDO1KMT2ATSHR | |
| SCHEMBL22266118 | 0.64 | FLT3 (0.54) | FLT3IRAK4IDO1KMT2ATSHR | |
| SCHEMBL14869761 | 0.61 | TSHR (0.67) | FLT3IRAK4KMT2AAURKATSHR | |
| SCHEMBL2409143 | 0.60 | KMT2A (0.84) | KMT2ATSHRMAPK11MAPK14 | |
| Dyrene SCHEMBL7743325 | 0.60 | TSHR (0.80) | FLT3IRAK4KMT2AAURKATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |
| CN-1738615-A | Diaminotriazoles as inhibitors of protein kinases | VERTEX PHARMA (US) | 2006-02-22 | — | — | CN | disclosed |