Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 8/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 7/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 4/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 6/20 | 0.37 |
| ▸ | RORA | P35398 | 3/20 | 0.36 |
| ▸ | RORB | Q92753 | 3/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | SREBF1 | P36956 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6917666 | 0.81 | NR1H3 (0.69) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL3398530 | 0.73 | NR1H2 (0.55) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL7211483 | 0.72 | PKM (0.58) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL29229990 | 0.71 | CA12 (0.60) | NR1H3NR1H2RORCALDH1A1MAPT | |
| SCHEMBL11406942 | 0.71 | NR1H3 (0.56) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL27874648 | 0.71 | NR1H2 (0.52) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL2512045 | 0.68 | APOBEC3G (0.58) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL27733587 | 0.66 | NR1H3 (0.47) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL1868116 | 0.65 | APOBEC3G (0.54) | NR1H3NR1H2APOBEC3GRORCNR1I2 | |
| SCHEMBL1768495 | 0.65 | APOBEC3G (0.54) | NR1H3NR1H2APOBEC3GRORCNR1I2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | claimed |
| CN-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | disclosed |