Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13075104 | 0.90 | CXCR2 (0.42) | CXCR2TAS1R3TAS1R1 | |
| SCHEMBL12189298 | 0.80 | LMNA (0.43) | TAS1R3TAS1R1TUBB1MAPK1CYP17A1 | |
| SCHEMBL178499 | 0.78 | CYP2D6 (0.49) | TAS1R3TAS1R1ROCK2TUBB1MAPK1 | |
| SCHEMBL18713515 | 0.78 | ALDH1A1 (0.48) | TAS1R3TAS1R1TUBB1MAPK1LMNA | |
| SCHEMBL19440643 | 0.78 | ALDH1A1 (0.48) | TAS1R3TAS1R1TUBB1MAPK1LMNA | |
| SCHEMBL15512184 | 0.78 | CXCR2 (0.41) | PDE2ACXCR2TAS1R3TAS1R1MAPK1 | |
| SCHEMBL15512183 | 0.78 | CXCR2 (0.41) | PDE2ACXCR2TAS1R3TAS1R1MAPK1 | |
| SCHEMBL16649931 | 0.77 | KDM1A (0.41) | PDE2ATAS1R3TAS1R1TUBB1MAPK1 | |
| SCHEMBL13075501 | 0.77 | KDM1A (0.41) | PDE2ATAS1R3TAS1R1TUBB1MAPK1 | |
| SCHEMBL12297021 | 0.77 | CYP3A4 (0.50) | TAS1R3TAS1R1MAPK1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |