Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6341007 | 0.87 | TUBB4A (0.34) | SRD5A1SRD5A2LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL7543301 | 0.85 | GABRG2 (0.43) | RARARARBGABRG2GABRB3GABRA5 | |
| SCHEMBL7547077 | 0.82 | ALDH1A1 (0.40) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL5209508 | 0.82 | GABRG2 (0.37) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL7540580 | 0.80 | GABRG2 (0.38) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL7541107 | 0.78 | OPRK1 (0.44) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL5212025 | 0.78 | MAPT (0.36) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL6339486 | 0.77 | MAPT (0.48) | ALDH1A1LMNAKMT2AKDM4EMAPT | |
| SCHEMBL7248040 | 0.75 | LMNA (0.38) | GABRA1GABRA3ALDH1A1KDM1AAPAF1 | |
| SCHEMBL7543287 | 0.74 | MEN1 (0.41) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1211239-A1 | PROCESS FOR THE PREPARATION OF 2,3-DIHYDROAZEPINE COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2002-06-05 | — | — | EP | disclosed |