Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.34 |
| ▸ | KLK1 | P06870 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8523993 | 0.84 | F10 (0.38) | KLKB1HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL8525755 | 0.73 | HSP90AA1 (0.49) | PPARACNR2MCL1AKR1B1 | |
| SCHEMBL8524454 | 0.72 | PKLR (0.49) | HDAC1 | |
| SCHEMBL1110102 | 0.69 | TUBB (0.46) | ATICPPARAKLKB1KLK1HDAC2 | |
| SCHEMBL3901212 | 0.69 | CCKBR (0.42) | GPR27 | |
| SCHEMBL3902502 | 0.68 | CCKBR (0.34) | ROCK2 | |
| SCHEMBL8525044 | 0.67 | PKLR (0.49) | HDAC1 | |
| SCHEMBL3900087 | 0.67 | ALDH1A1 (0.43) | ROCK2 | |
| SCHEMBL3910046 | 0.66 | CCKBR (0.39) | GPR27 | |
| SCHEMBL3900098 | 0.66 | MEN1 (0.40) | MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999029670-A2 | AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-17 | — | — | WO | disclosed |