Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 7/20 | 0.68 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.68 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.67 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.64 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.64 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.60 |
| ▸ | G6PD | P11413 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL11667307 | 1.00 | GRIN1 (0.68) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL6579072 | 0.86 | GRIN1 (0.71) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL28226182 | 0.83 | GRIN1 (0.60) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL6682882 | 0.83 | GRIN1 (0.56) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL6682878 | 0.83 | GRIN1 (0.56) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL17735543 | 0.81 | CDK5 (0.70) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL20781172 | 0.81 | NR1I3 (1.00) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL11128263 | 0.81 | NR1I3 (1.00) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL20781187 | 0.81 | NR1I3 (1.00) | GRIN1GRIN2BNR1I3CDK5CDK5R1 | |
| SCHEMBL21802632 | 0.81 | NR1I3 (1.00) | GRIN1GRIN2BNR1I3CDK5CDK5R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0285383-A2 | Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |
| EP-0285382-A2 | Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones | MERCK & CO. INC. (US) | 1988-10-05 | — | — | EP | disclosed |