Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372442 | 0.89 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11537150 | 0.73 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11537148 | 0.73 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3850015 | 0.72 | CES2 (0.56) | ALDH1A1NPSR1PTGS2CES2CES1 | |
| SCHEMBL3850013 | 0.72 | CES2 (0.56) | ALDH1A1NPSR1PTGS2CES2CES1 | |
| SCHEMBL9155638 | 0.72 | CES2 (0.61) | ALDH1A1NPSR1PTGS2CES2CES1 | |
| SCHEMBL18885235 | 0.72 | CES2 (0.55) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9155633 | 0.72 | CES2 (0.61) | ALDH1A1NPSR1PTGS2CES2CES1 | |
| SCHEMBL8915867 | 0.71 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8689509 | 0.70 | NPC1 (0.48) | ALDH1A1PTGS2CES2CES1MEN1 |
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-0932600-A2 | SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1$g(b) CONVERTING ENZYME INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016504-A2 | SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1998-04-23 | — | — | WO | disclosed |