Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | SORD | Q00796 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3327079 | 0.80 | RPS6KA5 (0.44) | RPS6KA5PTK2CDC7CDK2SORD | |
| SCHEMBL17601592 | 0.75 | RPS6KA5 (0.53) | RPS6KA5PTK2KDRCDC7CDK2 | |
| SCHEMBL17601089 | 0.75 | RPS6KA5 (0.45) | RPS6KA5CYP2D6PTK2KDRCDC7 | |
| SCHEMBL19211560 | 0.72 | KDR (0.52) | RPS6KA5CYP3A4CYP2D6CYP2C9PTK2 | |
| SCHEMBL2666269 | 0.69 | CYP3A4 (0.42) | RPS6KA5CYP3A4CYP2D6CYP2C9MAOA | |
| SCHEMBL19100184 | 0.69 | RPS6KA5 (0.54) | RPS6KA5PTK2CDC7CDK2MAP3K14 | |
| SCHEMBL19100953 | 0.69 | CDC7 (0.68) | RPS6KA5CDC7CDK2 | |
| SCHEMBL19100724 | 0.68 | CDC7 (0.56) | RPS6KA5PTK2CDC7CDK2MAP3K14 | |
| SCHEMBL19100396 | 0.68 | CDC7 (0.68) | RPS6KA5PTK2CDC7CDK2MAP3K14 | |
| SCHEMBL8192197 | 0.67 | CYP3A4 (0.59) | RPS6KA5CYP3A4CYP2D6CYP2C9 |
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-106279160-B | The amino-metadiazine compound preparation method of N phenyl 2 and purposes | 海南越康生物医药有限公司 | 2017-09-26 | — | — | CN | disclosed |