Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.31 |
| ▸ | GABRE | P78334 | 2/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.31 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27753878 | 0.81 | CYP2C19 (0.43) | TP53 | |
| SCHEMBL29025813 | 0.81 | — | — | |
| SCHEMBL1262249 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL6076196 | 0.78 | GRIK1 (0.41) | TP53RNPEPCYP1A2GRIK1 | |
| SCHEMBL21930777 | 0.78 | GRIK1 (0.41) | TP53RNPEPCYP1A2GRIK1 | |
| SCHEMBL2592558 | 0.78 | TP53 (0.39) | TP53GABRR1RNPEPCYP1A2SLC7A5 | |
| SCHEMBL6634480 | 0.78 | — | — | |
| SCHEMBL27439186 | 0.76 | TP53 (0.32) | TP53 | |
| SCHEMBL27577730 | 0.76 | ALDH1A1 (0.36) | TP53 | |
| SCHEMBL22500991 | 0.75 | GRIK1 (0.47) | GRIK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102746175-A | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| CN-101636399-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE CH | 2012-04-18 | — | — | CN | disclosed |
| CN-101801965-A | Indole compounds as inhibitors of cellular necrosis | LG LIFE SCIENCES LTD | 2010-08-11 | — | — | CN | disclosed |
| CN-101636399-A | Substituted pyrimido diazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2010-01-27 | — | — | CN | disclosed |
| US-4886546-A | Pyrone-3-carboxamide compounds and herbicidal composition thereof | DAICEL CHEMICAL INDUSTRIES LTD. (JP) | 1989-12-12 | — | — | US | disclosed |