Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13290793 | 0.82 | CA2 (0.61) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL743918 | 0.79 | CA2 (0.67) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL329294 | 0.79 | CA2 (0.71) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL329449 | 0.77 | CA2 (0.69) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL14575434 | 0.77 | CA2 (0.54) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL25119616 | 0.76 | CA2 (0.67) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL12157405 | 0.76 | CA2 (0.67) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL329450 | 0.76 | CA2 (0.67) | CA2AKR1B1CCR2CYP2A6CA9 | |
| SCHEMBL792780 | 0.76 | CA2 (1.00) | CA2CA9CA1 | |
| SCHEMBL1416155 | 0.74 | CA2 (0.65) | CA2AKR1B1CCR2CYP2A6CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944386-A4 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARM PROD INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0944386-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025611-A1 | SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-18 | — | — | WO | disclosed |