Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200687 | 0.90 | TSHR (0.56) | TSHRHTTTP53MAPK1ALDH1A1 | |
| SCHEMBL16616136 | 0.89 | TSHR (0.51) | TSHRHTTTP53MAPK1ALDH1A1 | |
| SCHEMBL8126448 | 0.87 | TSHR (0.50) | TSHRHTTTP53MAPK1ALDH1A1 | |
| SCHEMBL7675284 | 0.87 | TDP1 (0.47) | TSHRHTTTP53CYP3A4MAPK1 | |
| SCHEMBL30605720 | 0.86 | TDP1 (0.46) | TSHRTP53CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL844745 | 0.83 | TSHR (0.59) | TSHRHTTTP53MAPK1ALDH1A1 | |
| SCHEMBL8867903 | 0.83 | TSHR (0.51) | TSHRHTTTP53CYP3A4MAPK1 | |
| SCHEMBL10515633 | 0.82 | MAPT (0.60) | TSHRHTTTP53MAPK1ALDH1A1 | |
| SCHEMBL29286541 | 0.82 | TSHR (0.39) | TSHRTP53CYP3A4MAPK1ALDH1A1 | |
| SCHEMBL29570791 | 0.82 | TSHR (0.58) | TSHRHTTTP53MAPK1ALDH1A1 |
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-106046106-A | C-3 cycloalkenyl triterpenoids with HIV maturation inhibitory activity | 百时美施贵宝公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-104220451-B | C-3 cycloalkene triterpenoids with HIV maturation inhibitory activity | 百时美施贵宝公司 | 2016-06-29 | — | — | CN | disclosed |