Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19193336 | 0.83 | KCNH2 (0.46) | KCNH2SIGMAR1NOS3NOS1HTR7 | |
| SCHEMBL13981318 | 0.79 | SIGMAR1 (0.51) | KCNH2SIGMAR1NOS3NOS1HTR7 | |
| SCHEMBL8407893 | 0.79 | IGF1R (0.47) | KCNH2SIGMAR1NOS3NOS1LMNA | |
| SCHEMBL17471720 | 0.78 | CYP4A11 (0.41) | S1PR1ALDH1A1MAPT | |
| SCHEMBL17471702 | 0.76 | BCHE (0.42) | S1PR1ALDH1A1 | |
| SCHEMBL16502363 | 0.76 | HTR2A (0.47) | NOS3NOS1 | |
| SCHEMBL9670561 | 0.76 | SIGMAR1 (0.64) | KCNH2SIGMAR1HRH3SLC6A4LMNA | |
| SCHEMBL8407895 | 0.75 | ESR1 (0.55) | KCNH2SIGMAR1NOS3NOS1LMNA | |
| SCHEMBL17471728 | 0.75 | BCHE (0.44) | S1PR1ALDH1A1 | |
| SCHEMBL24620667 | 0.75 | S1PR1 (0.41) | S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7169779-B2 | Inhibitors of p38 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-01-30 | — | — | US | disclosed |