Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8525574 | 0.78 | AKR1B1 (0.48) | AKR1B1CNR2HDAC2KLKB1KLK1 | |
| SCHEMBL8525059 | 0.75 | HDAC2 (0.46) | AKR1B1CNR2HDAC2KLKB1KLK1 | |
| SCHEMBL8494353 | 0.73 | HDAC2 (0.55) | AKR1B1HDAC2KLKB1KLK1HDAC3 | |
| SCHEMBL8525436 | 0.72 | HDAC2 (0.50) | AKR1B1CNR2HDAC2HPGDKLKB1 | |
| SCHEMBL1320296 | 0.72 | HDAC2 (0.50) | AKR1B1CNR2HDAC2HPGDKLKB1 | |
| SCHEMBL8524189 | 0.71 | AKR1B1 (0.48) | AKR1B1CNR2HDAC2KLKB1KLK1 | |
| SCHEMBL8524730 | 0.71 | CA12 (0.42) | AKR1B1CNR2HDAC2KLKB1KLK1 | |
| SCHEMBL1110102 | 0.69 | TUBB (0.46) | AKR1B1CNR2HDAC2KLKB1KLK1 | |
| SCHEMBL8525044 | 0.66 | PKLR (0.49) | TP53HDAC1MEN1ALDH1A1KMT2A | |
| SCHEMBL8524665 | 0.66 | SLC16A3 (0.42) | AKR1B1CNR2POLBKLKB1KLK1 |
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 |