Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL353225 | 0.86 | LMNA (0.42) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL4203179 | 0.85 | KMT2A (0.40) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL11037068 | 0.84 | LMNA (0.41) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL5085961 | 0.83 | BRD4 (0.39) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL891233 | 0.83 | LMNA (0.39) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL14693972 | 0.83 | LMNA (0.39) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL24783971 | 0.83 | LMNA (0.39) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL1291207 | 0.83 | BRD4 (0.41) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL8018505 | 0.83 | TSHR (0.46) | LMNATSHRBRD4BRD2ALDH1A1 | |
| SCHEMBL22749300 | 0.83 | LMNA (0.39) | LMNATSHRBRD4BRD2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103339141-B | C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors | 百时美施贵宝公司 | 2016-08-24 | — | — | CN | disclosed |