Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27825232 | 0.85 | TSHR (0.49) | POLBLTA4HHTR2CHTR2BGHSR | |
| SCHEMBL28776632 | 0.82 | POLB (0.52) | POLBLTA4HGHSRTSHR | |
| SCHEMBL28270587 | 0.81 | TSHR (0.46) | POLBHTR2CHTR2BTSHR | |
| SCHEMBL27843143 | 0.77 | HTR2C (0.42) | POLBLTA4HHTR2CHTR2BGHSR | |
| SCHEMBL28238992 | 0.75 | TSHR (0.48) | POLBHTR2CTSHR | |
| SCHEMBL27772138 | 0.74 | TSHR (0.43) | POLBHTR2CTSHR | |
| Azetidine SCHEMBL27976635 | 0.74 | TSHR (0.41) | HTR2CTSHR | |
| SCHEMBL27879042 | 0.74 | CTSC (0.41) | POLBLTA4HHTR2CHTR2BTSHR | |
| SCHEMBL27873296 | 0.72 | TSHR (0.46) | TSHR | |
| SCHEMBL23251393 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |