Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1303701 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL1783770 | 0.80 | ALDH1A1 (0.50) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL18605357 | 0.78 | ALDH1A1 (0.48) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL1785691 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL4032372 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL7341365 | 0.74 | NAALAD2 (0.50) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL3719209 | 0.72 | ALDH1A1 (0.44) | ALDH1A1GFERHTTNPSR1FAAH | |
| SCHEMBL10839439 | 0.71 | PCSK9 (0.38) | ALDH1A1GFERHTTFAAHMEN1 | |
| SCHEMBL10178069 | 0.70 | ALDH1A1 (0.54) | ALDH1A1GFERHTTNPSR1MEN1 | |
| SCHEMBL18605618 | 0.70 | ALDH1A1 (0.43) | ALDH1A1GFERHTTNPSR1FAAH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |