Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | PRNP | P04156 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11448997 | 0.80 | CYP1A2 (0.58) | POLBCYP1A2CYP2D6CYP2C19HIF1A | |
| SCHEMBL11736194 | 0.78 | KDM4E (0.42) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL11016843 | 0.72 | KDM4E (0.37) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11239732 | 0.70 | CYP1A2 (0.33) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11736210 | 0.70 | KDM4E (0.40) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11244339 | 0.70 | LMNA (0.41) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11515866 | 0.70 | KMT2A (0.35) | RAB9ANPC1TP53ALDH1A1MAPT | |
| SCHEMBL11014309 | 0.69 | KDM4E (0.35) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 | |
| SCHEMBL11014182 | 0.69 | PNPO (0.36) | CYP1A2CYP2D6CYP2C19HIF1APKM | |
| SCHEMBL11013154 | 0.68 | ACHE (0.33) | CYP1A2CYP2D6CYP2C19HIF1AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4546106-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1985-10-08 | — | — | US | disclosed |
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4217352-A | ANTIARTHRITIC AGENT | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4061759-A | ANTIINFLAMMATORY, ARTHRITIS | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |