Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.42 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IAPP | P10997 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10912165 | 0.89 | ALDH1A1 (0.77) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL409318 | 0.83 | ALDH1A1 (0.63) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL11443198 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL11444235 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL5534617 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL8214784 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL363773 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| Raspberryketone SCHEMBL43308 | 0.80 | ALDH1A1 (0.65) | ALDH1A1KDM4ENPC1LMNATP53 | |
| SCHEMBL13800077 | 0.80 | FFAR1 (0.65) | LMNASLC6A3SMN1; SMN2FFAR1KEAP1 | |
| SCHEMBL23967299 | 0.78 | ALDH1A1 (0.63) | ALDH1A1KDM4ENPC1LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-9006234-B2 | Bridged heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2015-04-14 | — | — | US | disclosed |