Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL296994 | 0.82 | TDP1 (0.40) | TSHRTDP1ALDH1A1 | |
| SCHEMBL11299673 | 0.82 | HMGCR (0.46) | TSHRTDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL9134052 | 0.79 | TDP1 (0.45) | TDP1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL11299524 | 0.77 | TSHR (0.35) | TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL9242773 | 0.75 | TSHR (0.33) | TSHRTDP1 | |
| SCHEMBL11655472 | 0.75 | GAA (0.44) | TSHRTDP1ALDH1A1HSD17B10 | |
| SCHEMBL9240470 | 0.75 | TET2 (0.50) | TSHRTDP1HMGCRCHRM1TBXA2R | |
| SCHEMBL9241430 | 0.73 | GRIK1 (0.34) | TSHRTDP1 | |
| SCHEMBL9129137 | 0.72 | ALDH1A1 (0.35) | TSHRTDP1HMGCRCHRM1TBXA2R | |
| Acetone SCHEMBL27912055 | 0.70 | TSHR (0.61) | TSHRTDP1ALDH1A1HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4257985-A | Compounds by addition of hydroperoxides to α-β-unsaturated ketones | PENNWALT CORPORATION (US) | 1981-03-24 | — | — | US | claimed |
| US-4289914-A | FREE RADICAL POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS | PENNWALT CORPORATION (US) | 1981-09-15 | — | — | US | disclosed |
| US-4289914-A | FREE RADICAL POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS | PENNWALT CORPORATION (US) | 1981-09-15 | — | — | US | disclosed |
| US-4257985-A | Compounds by addition of hydroperoxides to α-β-unsaturated ketones | PENNWALT CORPORATION (US) | 1981-03-24 | — | — | US | disclosed |
| US-4257985-A | Compounds by addition of hydroperoxides to α-β-unsaturated ketones | PENNWALT CORPORATION (US) | 1981-03-24 | — | — | US | disclosed |
| US-4115455-A | FREE RADICAL CATALYSTS | PENNWALT CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |