Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.41 |
| ▸ | KDR | P35968 | 6/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ACP1 | P24666 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL4678972 | 0.93 | EGFR (0.43) | EGFRKDREPHX2CA9ACP1 | |
| SCHEMBL4674839 | 0.79 | TRPV1 (0.47) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4675893 | 0.77 | KIF11 (0.44) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4674553 | 0.75 | EPHX2 (0.42) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4675714 | 0.73 | EPHX2 (0.62) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4678999 | 0.72 | TRPV1 (0.47) | EGFRKDRMEN1KMT2ATRPV1 | |
| SCHEMBL27657900 | 0.72 | EPHX2 (0.37) | EGFRKDREPHX2CA9TRPV1 | |
| SCHEMBL4677054 | 0.71 | EGFR (0.43) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4675491 | 0.71 | EPHX2 (0.53) | EGFRKDREPHX2ACP1MEN1 | |
| SCHEMBL4674768 | 0.71 | TRPV1 (0.47) | EGFRKDREPHX2ACP1MEN1 |
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-1816541-A | Substituted-1-phthalazinamines as vr-1 antagonists | MERCK SHARP & DOHME (GB) | 2006-08-09 | — | — | CN | disclosed |