Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRE | P78334 | 2/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10658605 | 1.00 | ALDH1A1 (0.35) | ALDH1A1SLC22A6GABRR1LMNACACNA2D1 | |
| SCHEMBL2491274 | 0.80 | SLC22A6 (0.50) | SLC22A6GABRR1LMNACACNA2D1GABRP | |
| SCHEMBL28926335 | 0.79 | — | — | |
| SCHEMBL12031644 | 0.79 | — | — | |
| SCHEMBL6512826 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL16761794 | 0.77 | ALDH1A1 (0.35) | ALDH1A1SLC22A6GABRR1LMNACACNA2D1 | |
| Water SCHEMBL7227622 | 0.77 | SLC22A6 (0.47) | SLC22A6GABRR1LMNACACNA2D1GABRP | |
| SCHEMBL22584918 | 0.74 | SLC1A3 (0.38) | SLC22A6GABRR1LMNACACNA2D1GABRP | |
| SCHEMBL22584919 | 0.74 | SLC1A3 (0.38) | SLC22A6GABRR1LMNACACNA2D1GABRP | |
| SCHEMBL10655250 | 0.73 | MAPT (0.39) | SLC22A6GABRR1LMNACACNA2D1GABRP |
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-4746649-A | Diamino acid derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1988-05-24 | — | — | US | disclosed |
| EP-0161588-A2 | Diamino acid derivatives | MERCK PATENT GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |