Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13762194 | 0.87 | SCN9A (0.62) | SCN9AHDAC6HDAC4CYP1A2CYP2D6 | |
| SCHEMBL17886781 | 0.83 | SCN9A (0.57) | SCN9AHDAC6HDAC4LMNASMN1; SMN2 | |
| SCHEMBL13766311 | 0.82 | PARP1 (0.61) | SCN9APARP1HDAC6HDAC4ROCK2 | |
| SCHEMBL20344071 | 0.82 | CYP1A2 (0.58) | SCN9APARP1HDAC6HDAC4ROCK2 | |
| SCHEMBL3760743 | 0.81 | ADRB1 (0.59) | SCN9APARP1HDAC6HDAC4CYP1A2 | |
| SCHEMBL6221703 | 0.81 | ADRB1 (0.59) | SCN9APARP1HDAC6HDAC4CYP1A2 | |
| SCHEMBL279575 | 0.81 | HPGD (0.59) | SCN9APARP1HDAC6ROCK2ROCK1 | |
| SCHEMBL8288130 | 0.79 | ALDH1A1 (0.53) | SCN9APARP1ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL10380819 | 0.79 | ROCK2 (0.58) | SCN9APARP1ROCK2ROCK1MEN1 | |
| SCHEMBL5088410 | 0.77 | ADRB1 (0.60) | SCN9APARP1HDAC6HDAC4ROCK2 |
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-7557110-B2 | MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine | TEIJIN PHARMA LIMITED (JP) | 2009-07-07 | — | — | US | disclosed |