Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7622508 | 0.73 | PDE4B (0.40) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7236273 | 0.70 | CYP2C19 (0.39) | SMN1; SMN2FFAR1RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL7236567 | 0.69 | CYP2C19 (0.39) | SMN1; SMN2FFAR1RXRARXRBRXRG | |
| Hydrochloric Acid SCHEMBL7236577 | 0.69 | CYP2C19 (0.39) | SMN1; SMN2FFAR1RXRARXRBRXRG | |
| SCHEMBL7236130 | 0.69 | NPC1 (0.37) | — | |
| SCHEMBL3235703 | 0.65 | NR1H4 (0.43) | MMP12RXRARXRBRXRG | |
| SCHEMBL8675813 | 0.65 | NPC1 (0.41) | KMT2ASMN1; SMN2S1PR1 | |
| SCHEMBL27599721 | 0.63 | L3MBTL1 (0.40) | KMT2ASMN1; SMN2 | |
| SCHEMBL7714320 | 0.63 | KMT2A (0.43) | CASP1KMT2ASMN1; SMN2MMP12FFAR1 | |
| SCHEMBL2989103 | 0.62 | ALDH1A1 (0.41) | RXRARXRBRXRG |
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 |
|---|---|---|---|---|---|---|---|
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |