Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 7/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7236567 | 0.99 | CYP2C19 (0.39) | CYP2C19SCN10ASMN1; SMN2RXRARXRB | |
| Hydrochloric Acid SCHEMBL7236577 | 0.99 | CYP2C19 (0.39) | CYP2C19SCN10ASMN1; SMN2RXRARXRB | |
| SCHEMBL7236130 | 0.85 | NPC1 (0.37) | CYP2C19CTSASLC1A5 | |
| SCHEMBL4266306 | 0.72 | NPSR1 (0.51) | CYP2C19SMN1; SMN2RXRARXRBRXRG | |
| SCHEMBL14691383 | 0.72 | TDP1 (0.53) | CYP2C19RXRARXRBRXRGNR1H4 | |
| SCHEMBL7236145 | 0.70 | CASP1 (0.34) | SMN1; SMN2RXRARXRBRXRGFFAR1 | |
| SCHEMBL28204991 | 0.70 | FFAR1 (0.54) | SMN1; SMN2NR1H4FFAR1 | |
| SCHEMBL9842014 | 0.69 | LMNA (0.41) | CA1CA2CA9 | |
| SCHEMBL8892396 | 0.69 | CYP2C19 (0.40) | CYP2C19SMN1; SMN2RXRARXRBRXRG | |
| SCHEMBL4261597 | 0.68 | TP53 (0.41) | CYP2C19SCN10ASMN1; SMN2RXRARXRB |
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 |