Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | QRFPR | Q96P65 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17109959 | 0.96 | ALDH1A1 (0.39) | ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL14205120 | 0.96 | ALDH1A1 (0.39) | ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL20346143 | 0.89 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3KCNH2QRFPR | |
| SCHEMBL17614878 | 0.89 | SLC6A4 (0.36) | ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL19195164 | 0.89 | HTR2A (0.36) | — | |
| SCHEMBL16638478 | 0.88 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL19727264 | 0.88 | SLC6A4 (0.36) | SLC6A4SLC6A2SLC6A3KCNH2QRFPR | |
| SCHEMBL14232332 | 0.87 | SLC6A2 (0.35) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL12997680 | 0.86 | ALDH1A1 (0.35) | ALDH1A1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL9060856 | 0.86 | PDE4A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9835890-B2 | Liquid crystal display | MERCK PATENG GMBH (DE) | 2017-12-05 | — | — | US | disclosed |
| US-20170335194-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | US | disclosed |