Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | FABP3 | P05413 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL8563998 | 0.85 | IKBKB (0.36) | IKBKBFABP3FABP4FABP5CYP1A2 | |
| SCHEMBL8564792 | 0.80 | RAC1 (0.42) | IKBKBNISCHMAPK10 | |
| SCHEMBL8564036 | 0.75 | TYMP (0.40) | CYP1A2PTGESNISCHCYP2A6 | |
| SCHEMBL8566061 | 0.73 | HTR2B (0.49) | CYP1A2CYP11B1CYP11B2CYP1A1CYP1B1 | |
| SCHEMBL10832750 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL28514503 | 0.68 | HPGD (0.33) | FASNESR1ESR2 | |
| SCHEMBL3103036 | 0.65 | NQO2 (0.43) | ESR1ESR2 | |
| SCHEMBL29647703 | 0.65 | CYP1A2 (0.58) | CYP1A2CYP11B1CYP11B2CYP1A1CYP1B1 | |
| SCHEMBL21076148 | 0.64 | AHR (0.64) | CYP11B1CYP11B2CYP1B1CYP17A1CYP19A1 | |
| SCHEMBL28144887 | 0.64 | IKBKB (0.43) | IKBKBFABP3FABP4FABP5CYP1A2 |
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-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |