Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.43 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11496275 | 0.86 | SIGMAR1 (0.46) | KDM4ETSHRSIGMAR1 | |
| SCHEMBL11489248 | 0.86 | CYP17A1 (0.39) | SCN9AHPGDKDM4ETSHRSIGMAR1 | |
| SCHEMBL11489725 | 0.85 | HSPB1 (0.42) | SCN9ACCR4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11494750 | 0.85 | CCR4 (0.40) | CCR4SLC6A2SLC6A3KDM4E | |
| SCHEMBL11496051 | 0.85 | SIGMAR1 (0.40) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| SCHEMBL11487915 | 0.85 | LPAR1 (0.43) | SIGMAR1 | |
| SCHEMBL11487496 | 0.84 | CACNA1B (0.43) | SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL11495359 | 0.79 | TSHR (0.39) | SLC6A2SLC6A4SLC6A3KDM4ETSHR | |
| SCHEMBL11489456 | 0.79 | LPAR1 (0.42) | CCR4SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL12808430 | 0.79 | ALDH1A1 (0.49) | NPSR1HPGDTSHRMEN1KMT2A |
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-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |