Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
| ▸ | POLA1 | P09884 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.36 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110380 | 0.90 | AKR1B1 (0.40) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL1754205 | 0.87 | AKR1B1 (0.39) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL3280419 | 0.85 | AKR1B1 (0.38) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL2098563 | 0.83 | AKR1B1 (0.38) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL2055364 | 0.83 | AKR1B1 (0.38) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL1320456 | 0.83 | KEAP1 (0.43) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL12119597 | 0.82 | AKR1B1 (0.40) | AKR1B1CNR2KLKB1KLK1POLA1 | |
| SCHEMBL1319036 | 0.81 | KCNA5 (0.41) | POLA1CTSVCTSLCTSBCTSS | |
| SCHEMBL1320168 | 0.80 | POLA1 (0.39) | KLKB1KLK1POLA1HDAC3HDAC4 | |
| SCHEMBL1110102 | 0.79 | TUBB (0.46) | AKR1B1CNR2KLKB1KLK1POLA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2200987-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009030715-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-12 | — | — | WO | disclosed |