Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.69 |
| ▸ | TLR2 | O60603 | 10/20 | 0.60 |
| ▸ | TLR1 | Q15399 | 10/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950428 | 1.00 | SIGMAR1 (0.69) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 | |
| SCHEMBL17748295 | 0.96 | SIGMAR1 (0.67) | SIGMAR1TLR2TLR1 | |
| SCHEMBL870999 | 0.94 | SIGMAR1 (0.66) | SIGMAR1TLR2TLR1 | |
| SCHEMBL10123276 | 0.94 | SIGMAR1 (0.66) | SIGMAR1TLR2TLR1 | |
| SCHEMBL4872861 | 0.84 | SIGMAR1 (0.63) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 | |
| SCHEMBL4867322 | 0.84 | SIGMAR1 (0.63) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 | |
| SCHEMBL17117337 | 0.84 | SIGMAR1 (0.63) | SIGMAR1ALDH1A1HDAC4 | |
| SCHEMBL17117412 | 0.83 | ALDH1A1 (0.64) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 | |
| Hydrochloric Acid SCHEMBL5089351 | 0.83 | SIGMAR1 (0.62) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 | |
| Hydrochloric Acid SCHEMBL5089349 | 0.83 | SIGMAR1 (0.62) | SIGMAR1TLR2TLR1ALDH1A1HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |
| US-6271265-B1 | N-TERT-BUTYL-2-HYDROXYBENZAMIDE FOR INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. | 2001-08-07 | — | — | US | disclosed |