Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 7/20 | 0.41 |
| ▸ | SGK1 | O00141 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | AKT2 | P31751 | 2/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | RPS6KA1 | Q15418 | 2/20 | 0.41 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3624844 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRHSD17B10AKT1 | |
| SCHEMBL13645918 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRHSD17B10AKT1 | |
| SCHEMBL13406477 | 0.86 | P2RY14 (0.45) | AKT1SGK1RPS6KB1AKT2PRKCQ | |
| SCHEMBL13406479 | 0.86 | P2RY14 (0.45) | AKT1SGK1RPS6KB1AKT2PRKCQ | |
| SCHEMBL13406473 | 0.86 | P2RY14 (0.45) | AKT1SGK1RPS6KB1AKT2PRKCQ | |
| SCHEMBL13406478 | 0.86 | P2RY14 (0.45) | AKT1SGK1RPS6KB1AKT2PRKCQ | |
| SCHEMBL27092886 | 0.85 | P2RY14 (0.41) | HTR2AKCNH2 | |
| SCHEMBL18344884 | 0.85 | GRK2 (0.43) | — | |
| SCHEMBL13406266 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL3867583 | 0.81 | TLR9 (0.50) | ALDH1A1HPGDTSHRHSD17B10 |
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-7700591-B2 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO., INC. (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700591-B2 | Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors | MERCK & CO., INC. (US) | 2010-04-20 | — | — | US | disclosed |