Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | CCR9 | P51686 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870508 | 0.76 | CHEK1 (0.42) | CDK8TACR1SMN1; SMN2 | |
| SCHEMBL17066851 | 0.76 | CCR9 (0.44) | PTPN1CCNCCDK8KDM4EVDR | |
| Hydrochloric Acid SCHEMBL30167500 | 0.75 | CCR9 (0.43) | PTPN1CCNCCDK8KDM4EVDR | |
| SCHEMBL28948046 | 0.74 | TSHR (0.41) | TSHRTDP1CCNCCDK8EGFR | |
| SCHEMBL9871017 | 0.72 | KMT2A (0.43) | CCNCCDK8TACR1KDM4ECA12 | |
| SCHEMBL9871013 | 0.72 | KMT2A (0.43) | CCNCCDK8TACR1KDM4ECA12 | |
| SCHEMBL10814335 | 0.72 | PTGER4 (0.54) | TSHRPTPN1TDP1CCNCCDK8 | |
| SCHEMBL9872451 | 0.72 | TACR1 (0.36) | TACR1KDM4ELTB4R | |
| SCHEMBL10511403 | 0.72 | TACR1 (0.36) | TACR1KDM4ELTB4R | |
| SCHEMBL5532390 | 0.71 | TACR1 (0.51) | TSHRTACR1ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997837-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4906624-A | 6-(((Substituted)pyridin-3-yl)alkyl)-and alkenyl)-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| EP-0306929-A2 | 6-[[(Substituted)pyridin-3-YL]alkyl]-and alkenyl]-tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis | WARNER-LAMBERT COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |