Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.47 |
| ▸ | DRD5 | P21918 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3902560 | 0.79 | DRD1 (0.65) | DRD1DRD5DRD2DRD3MAPT | |
| SCHEMBL19339144 | 0.77 | DRD1 (0.50) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL11975918 | 0.74 | DRD1 (0.47) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL12367363 | 0.74 | DRD1 (0.47) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL16624029 | 0.74 | DRD1 (0.51) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL14067046 | 0.74 | HTR1A (0.48) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL11261438 | 0.73 | DRD1 (0.49) | DRD1DRD5DRD2DRD3DRD4 | |
| SCHEMBL14625860 | 0.73 | DRD1 (0.50) | DRD1DRD5DRD2DRD3TIPARP | |
| Hydrochloric Acid SCHEMBL1025997 | 0.73 | DRD1 (0.46) | DRD1DRD5DRD2DRD3TIPARP | |
| SCHEMBL14590586 | 0.71 | ESR1 (0.57) | ESR1ESR2RYR2 |
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 |