Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 4/20 | 0.64 |
| ▸ | CDK8 | P49336 | 4/20 | 0.64 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP14 | P50281 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16116380 | 0.85 | CCNC (0.68) | CCNCCDK8ALDH1A1LMNAGAA | |
| SCHEMBL4717248 | 0.81 | ALPL (0.69) | CDK5CDK5R1ALPLNPC1ALDH1A1 | |
| SCHEMBL1126787 | 0.80 | NOTUM (0.60) | ALPLGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL13987890 | 0.79 | CCNC (0.76) | CCNCCDK8ALPL | |
| SCHEMBL4890571 | 0.79 | SYK (0.53) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL1990531 | 0.79 | JAK2 (0.53) | ALPLGABRPGABRDGABRA1GABRB1 | |
| Lithium SCHEMBL16116438 | 0.78 | CCNC (0.74) | CCNCCDK8ALPL | |
| SCHEMBL16116435 | 0.78 | CCNC (0.74) | CCNCCDK8ALPL | |
| SCHEMBL16115998 | 0.78 | CCNC (1.00) | CCNCCDK8ALDH1A1RAB9AKMT2A | |
| Lithium Ion SCHEMBL16116436 | 0.77 | CCNC (0.72) | CCNCCDK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-7462612-B2 | Pyridine inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-12-09 | — | — | US | disclosed |
| US-7462612-B2 | Pyridine inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-12-09 | — | — | US | disclosed |