Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458190 | 0.77 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL10448704 | 0.77 | CYP2A6 (0.50) | CYP2A6TDP1GSTP1ESR1ESR2 | |
| SCHEMBL29104462 | 0.77 | HSD17B1 (0.44) | CYP2A6TDP1GSTP1ESR1ESR2 | |
| SCHEMBL3089094 | 0.75 | HSD17B1 (0.50) | CYP2A6TDP1GSTP1ESR1ESR2 | |
| SCHEMBL9473105 | 0.74 | CA12 (0.50) | HPGDCA1CA9 | |
| SCHEMBL2448879 | 0.74 | ESR1 (0.48) | GSTP1ESR1ESR2CYP1A2SMN1; SMN2 | |
| SCHEMBL6537086 | 0.74 | GSTP1 (0.42) | CYP2A6TDP1GSTP1ESR1ESR2 | |
| SCHEMBL2257746 | 0.73 | ESR1 (0.47) | CYP2A6TDP1GSTP1ESR1ESR2 | |
| SCHEMBL948858 | 0.72 | GSTP1 (0.45) | GSTP1ESR1ESR2CYP1A2SMN1; SMN2 | |
| SCHEMBL8089523 | 0.71 | CYP1A2 (0.53) | CYP2A6GSTP1ESR1ESR2CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098930-A | Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-24 | — | — | US | disclosed |