Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL26962847 | 0.80 | CES2 (0.50) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL2095433 | 0.79 | CES2 (0.58) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL4414992 | 0.79 | CES2 (0.58) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL19592309 | 0.79 | CES2 (0.58) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL2555410 | 0.77 | CES2 (0.51) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL2555408 | 0.77 | CES2 (0.51) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL28795999 | 0.76 | ALDH1A1 (0.65) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| SCHEMBL7447900 | 0.76 | CES2 (0.64) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| SCHEMBL3112678 | 0.76 | CES2 (0.50) | NQO2CES2ALDH1A1NPSR1SRD5A2 | |
| SCHEMBL20919883 | 0.76 | CES1 (0.48) | NQO2CES2ALDH1A1 |
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-2012026403-A1 | CONDENSED RING COMPOUND | 日本曹達株式会社 (JP) | 2012-03-01 | — | — | WO | disclosed |