Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL6584433 | 0.74 | CYP2D6 (0.55) | CYP2C19CYP2D6HIF1ATSHRHSD17B10 | |
| SCHEMBL298385 | 0.73 | CYP2D6 (1.00) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| SCHEMBL9588186 | 0.70 | CYP2D6 (0.50) | CYP2C19CYP2D6HIF1ATSHRHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL27893881 | 0.70 | CYP2D6 (0.92) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL11150442 | 0.70 | CYP2D6 (0.92) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| SCHEMBL3815956 | 0.67 | CYP2D6 (0.73) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| Ethylene SCHEMBL28577445 | 0.67 | CYP2D6 (0.86) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| SCHEMBL11256098 | 0.67 | CYP2D6 (0.46) | CYP2C19CYP2D6HIF1ATSHRCYP1A2 | |
| SCHEMBL11314320 | 0.67 | — | — | |
| SCHEMBL2912849 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4266033-A | Cellulose fermentation process | CHEVRON RESEARCH COMPANY (US) | 1981-05-05 | — | — | US | claimed |
| US-4219673-A | 2-(Trichloromethyldithio)acetic acid and related compounds | CHEVRON RESEARCH COMPANY (US) | 1980-08-26 | — | — | US | claimed |
| US-4110475-A | A 2-(CHLOROMETHYLDITHIO)ACETIC ACID | CHEVRON RESEARCH COMPANY (US) | 1978-08-29 | — | — | US | claimed |
| US-4266033-A | Cellulose fermentation process | CHEVRON RESEARCH COMPANY (US) | 1981-05-05 | — | — | US | disclosed |
| US-4219673-A | 2-(Trichloromethyldithio)acetic acid and related compounds | CHEVRON RESEARCH COMPANY (US) | 1980-08-26 | — | — | US | disclosed |
| US-4219673-A | 2-(Trichloromethyldithio)acetic acid and related compounds | CHEVRON RESEARCH COMPANY (US) | 1980-08-26 | — | — | US | disclosed |
| US-4110475-A | A 2-(CHLOROMETHYLDITHIO)ACETIC ACID | CHEVRON RESEARCH COMPANY (US) | 1978-08-29 | — | — | US | disclosed |