Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17443366 | 0.90 | ROCK2 (0.45) | RIPK1KMT2AROCK2TRPV1KDM4E | |
| SCHEMBL17443391 | 0.83 | FFAR1 (0.47) | RIPK1FFAR1KMT2AKCNQ2ALDH1A1 | |
| SCHEMBL17448042 | 0.81 | TP53 (0.44) | KMT2AROCK2MAOB | |
| SCHEMBL17448001 | 0.79 | FFAR1 (0.33) | RIPK1FFAR1KCNQ2ROCK2TRPV1 | |
| SCHEMBL17443397 | 0.78 | HTR1D (0.48) | KMT2AKDM4EALDH1A1 | |
| SCHEMBL1340597 | 0.77 | KMT2A (0.47) | KMT2AROCK2ALDH1A1GAASLC6A3 | |
| SCHEMBL29443104 | 0.77 | KMT2A (0.47) | KMT2AROCK2ALDH1A1GAASLC6A3 | |
| SCHEMBL1569667 | 0.76 | KDM4C (0.43) | TRPV1KDM4C | |
| SCHEMBL915090 | 0.74 | MAOB (0.38) | TRPV1KDM4EALDH1A1GAAKDM4C | |
| SCHEMBL9431997 | 0.73 | TRPV1 (0.41) | TRPV1KDM4EALDH1A1GAAKDM4C |
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 |
|---|---|---|---|---|---|---|---|
| CN-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |