Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | GRK2 | P25098 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL17443431 | 0.88 | ROCK2 (0.42) | FFAR1RIPK1AKR1B1GRK2KMT2A | |
| SCHEMBL22165402 | 0.85 | HDAC1 (0.44) | RIPK1AKR1B1HDAC1HDAC2 | |
| SCHEMBL30292064 | 0.85 | HDAC1 (0.44) | RIPK1AKR1B1HDAC1HDAC2 | |
| SCHEMBL27883209 | 0.85 | HDAC1 (0.44) | RIPK1AKR1B1HDAC1HDAC2 | |
| SCHEMBL17448044 | 0.83 | RIPK1 (0.40) | FFAR1RIPK1AKR1B1KDM4CKMT2A | |
| SCHEMBL17443409 | 0.80 | FFAR1 (0.33) | FFAR1RIPK1AKR1B1KDM4CALDH1A1 | |
| SCHEMBL14378463 | 0.79 | FFAR1 (0.47) | FFAR1GRK2KMT2ACTDSP1ALDH1A1 | |
| SCHEMBL1519203 | 0.78 | FFAR2 (0.45) | FFAR1SMN1; SMN2 | |
| SCHEMBL8576142 | 0.78 | FFAR2 (0.45) | FFAR1SMN1; SMN2 | |
| SCHEMBL8580943 | 0.78 | FFAR2 (0.45) | FFAR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |