Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.47 |
| ▸ | ACLY | P53396 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ESRRB | O95718 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9247751 | 0.81 | AKR1C2 (0.67) | AKR1C2AKR1C1ACLYCYP2C19HTT | |
| SCHEMBL6321695 | 0.75 | GABRA1 (0.52) | AKR1C2AKR1C1ACLYCYP2C19SMN1; SMN2 | |
| SCHEMBL29065613 | 0.73 | GABRA1 (0.50) | AKR1C2AKR1C1ACLYCYP2C19SMN1; SMN2 | |
| SCHEMBL9740389 | 0.73 | LMNA (0.41) | AKR1C2AKR1C1CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL22442016 | 0.73 | HSD17B10 (0.41) | AKR1C2AKR1C1CYP2C19HTTSMN1; SMN2 | |
| SCHEMBL9867738 | 0.72 | HSP90AA1 (0.59) | HTTSMN1; SMN2LMNAKCNH2ESRRG | |
| SCHEMBL9739524 | 0.72 | AKR1C2 (0.42) | AKR1C2AKR1C1SMN1; SMN2LMNAAKR1C4 | |
| SCHEMBL11773434 | 0.72 | CYP2C19 (0.47) | AKR1C2AKR1C1ACLYCYP2C19HTT | |
| SCHEMBL11245202 | 0.71 | AKR1C2 (0.55) | AKR1C2AKR1C1ACLYHTTAKR1C4 | |
| SCHEMBL23542361 | 0.70 | ALDH1A1 (0.46) | AKR1C2AKR1C1ACLYCYP2C19HTT |
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-5087638-A | Inhibitors of mammalian leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1992-02-11 | — | — | US | disclosed |
| EP-0338782-A1 | Benzofuran derivatives | MERCK FROSST CANADA INC. (CA) | 1989-10-25 | — | — | EP | disclosed |
| US-4863958-A | TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION | MERCK FROSST CANADA, INC. (CA) | 1989-09-05 | — | — | US | disclosed |