Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7804048 | 0.78 | KEAP1 (0.37) | CA1CA2CA4KDM4EALDH1A1 | |
| SCHEMBL7811260 | 0.78 | ALDH1A1 (0.37) | CA1CA2CA4KDM4EALDH1A1 | |
| SCHEMBL11916149 | 0.77 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6CA1 | |
| SCHEMBL6648524 | 0.77 | DGAT1 (0.36) | KDM4EALDH1A1MAPTHTT | |
| SCHEMBL17365726 | 0.74 | GRIN1 (0.34) | ALDH1A1HTT | |
| SCHEMBL24710092 | 0.73 | DPP4 (0.35) | SLC6A2SLC6A4SLC6A3CYP2D6CA1 | |
| SCHEMBL29464019 | 0.71 | CA1 (0.36) | CA1CA2CA4CA12CA7 | |
| SCHEMBL6649047 | 0.70 | SCN9A (0.33) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL24533487 | 0.70 | KDM4E (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6KDM4E | |
| SCHEMBL31751842 | 0.70 | ALOX5AP (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5213710-A | Benzene derivatives and a liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-25 | — | — | US | disclosed |