Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11059625 | 0.75 | ALDH1A1 (0.72) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL30096512 | 0.72 | PTGS2 (0.52) | KDM4EALDH1A1PTGS2HSD17B10PTGS1 | |
| SCHEMBL25541280 | 0.70 | PTGS2 (0.61) | PTGS2PTGS1MAPTLMNA | |
| SCHEMBL2657757 | 0.69 | GABRA1 (0.67) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6202421 | 0.69 | GABRG2 (0.60) | SMN1; SMN2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL13325670 | 0.68 | ALDH1A1 (0.40) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL18499244 | 0.68 | KDM4E (0.74) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL6216371 | 0.67 | GABRA1 (0.67) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11625962 | 0.67 | PTGS2 (0.60) | ALDH1A1PTGS2HTR6GAACYP2A6 | |
| SCHEMBL7233506 | 0.67 | GABRG2 (0.62) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4444774-A | TRANQUILIZERS | AMERICAN CYANAMID COMPANY (US) | 1984-04-24 | — | — | US | claimed |
| US-4444774-A | TRANQUILIZERS | AMERICAN CYANAMID COMPANY (US) | 1984-04-24 | — | — | US | disclosed |