Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 3/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 3/20 | 0.44 |
| ▸ | TOP1 | P11387 | 2/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.42 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7489900 | 0.83 | BRAF (0.44) | BRAFKDRABL1KCNQ3KCNQ2 | |
| SCHEMBL7493279 | 0.81 | CYP11B1 (0.51) | BRAFKDRABL1 | |
| SCHEMBL7500588 | 0.78 | BRAF (0.45) | BRAFKDRABL1KCNQ3KCNQ2 | |
| SCHEMBL7495534 | 0.77 | BRAF (0.42) | BRAFKDRABL1KDM4EMEN1 | |
| SCHEMBL6846470 | 0.76 | ABL1 (0.50) | ABL1TOP1KCNQ3KCNQ2KCNE1 | |
| SCHEMBL7670916 | 0.70 | BRAF (0.46) | BRAFKDRABL1KCNQ3KCNQ2 | |
| SCHEMBL10245924 | 0.68 | TOP1 (0.64) | TOP1MEN1HTTKMT2APKM | |
| Hydrochloric Acid SCHEMBL8831932 | 0.68 | BRAF (0.43) | BRAFKDRABL1TRPV1KDM4E | |
| SCHEMBL6976480 | 0.67 | KCNQ3 (0.67) | KCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL14083086 | 0.66 | TRPV1 (0.63) | BRAFABL1TRPV1KDM4EMEN1 |
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-1252146-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001053274-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-07-26 | — | — | WO | disclosed |