Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10029427 | 0.80 | HRH3 (0.37) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL14246510 | 0.78 | ALDH1A1 (0.40) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL21562371 | 0.78 | ALDH1A1 (0.36) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL30523298 | 0.78 | ALDH1A1 (0.36) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL34468662 | 0.78 | ALDH1A1 (0.36) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL30569552 | 0.78 | SMN1; SMN2 (0.33) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL19346384 | 0.77 | ALDH1A1 (0.35) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL22223017 | 0.77 | HRH3 (0.39) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL1012697 | 0.75 | ALDH1A1 (0.34) | ALDH1A1NPSR1POLBMAPTHTT | |
| SCHEMBL1011193 | 0.75 | ALDH1A1 (0.34) | ALDH1A1NPSR1POLBMAPTHTT |
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-102471366-B | 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-benzylidene derivatives, process for preparing them and their use for treating diseases | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-12-16 | — | — | CN | disclosed |