Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 7/20 | 0.49 |
| ▸ | DRD5 | P21918 | 7/20 | 0.49 |
| ▸ | DRD2 | P14416 | 6/20 | 0.49 |
| ▸ | DRD3 | P35462 | 6/20 | 0.49 |
| ▸ | DRD4 | P21917 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20841739 | 0.92 | HSD17B10 (0.51) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL19997276 | 0.88 | DRD1 (0.49) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL12383668 | 0.88 | NOTUM (0.52) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL31525831 | 0.84 | NOTUM (0.55) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL2632805 | 0.84 | NOTUM (0.55) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL10311212 | 0.80 | NOTUM (0.46) | NOTUMDRD2DRD4SRD5A1CRHR1 | |
| SCHEMBL22004374 | 0.80 | CRHR1 (0.49) | NOTUMDRD1DRD5DRD2DRD3 | |
| SCHEMBL12384159 | 0.79 | NOTUM (0.48) | NOTUMSRD5A1HTR2CHTR2BCRHR1 | |
| SCHEMBL13180773 | 0.79 | NOTUM (0.48) | NOTUMHTR2CHTR2B | |
| SCHEMBL30727816 | 0.79 | ATAD2 (0.47) | NOTUMDRD1HSD17B10TP53HTR2C |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |