Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.42 |
| ▸ | GABRE | P78334 | 1/20 | 0.42 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.42 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.42 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.42 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10032038 | 0.88 | TP53 (0.51) | TP53GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7758342 | 0.85 | HMGB1 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL10341241 | 0.85 | MEN1 (0.46) | GABRA1GABRB2ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5766222 | 0.80 | ALDH1A1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL31668736 | 0.80 | KDM4E (0.54) | TP53ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL27903036 | 0.80 | CA12 (0.44) | ALDH1A1MEN1KMT2AHMGB1CXCL12 | |
| SCHEMBL10202030 | 0.79 | KDM4E (0.41) | ALDH1A1MEN1KMT2ATSHRPOLB | |
| SCHEMBL11707476 | 0.79 | TP53 (0.48) | TP53ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29952565 | 0.79 | AKR1C3 (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2724263 | 0.77 | HTT (0.45) | ALDH1A1MEN1KMT2ARXFP1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4447435-A | HYPOTENSIVE AGENTS | THE BOOTS COMPANY PLC (GB) | 1984-05-08 | — | — | US | disclosed |
| US-4442109-A | 3-Methylthiomethyl-and 3-methylsulfinylmethyl-4-quinolinones useful for treating hypertension | THE BOOTS COMPANY LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |
| US-4442029-A | PEPTIDE SYNTHESIS USING AN ISONITRILE AS ACTIVATOR | MARQUARDING DIETER (DE) | 1984-04-10 | — | — | US | disclosed |