Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 11/20 | 0.53 |
| ▸ | DRD4 | P21917 | 11/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | WNT1 | P04628 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2580912 | 0.88 | TEAD1 (0.54) | ROCK2DRD2DRD4HDAC3HDAC4 | |
| SCHEMBL7694198 | 0.74 | DRD2 (0.85) | DRD2DRD4MCHR1SIGMAR1 | |
| SCHEMBL7694199 | 0.74 | DRD2 (0.85) | DRD2DRD4MCHR1SIGMAR1 | |
| SCHEMBL239528 | 0.73 | DRD4 (0.71) | DRD2DRD4MCHR1SIGMAR1KMT2A | |
| SCHEMBL239527 | 0.73 | DRD4 (0.71) | DRD2DRD4MCHR1SIGMAR1KMT2A | |
| SCHEMBL19317742 | 0.73 | SMYD3 (0.69) | MEN1ALDH1A1KMT2A | |
| SCHEMBL19614234 | 0.72 | DRD4 (0.70) | DRD2DRD4MCHR1SIGMAR1KMT2A | |
| SCHEMBL20183285 | 0.72 | DRD4 (0.70) | DRD2DRD4MCHR1SIGMAR1KMT2A | |
| SCHEMBL17961749 | 0.72 | DRD4 (0.70) | DRD2DRD4MCHR1SIGMAR1KMT2A | |
| SCHEMBL7656471 | 0.72 | SIGMAR1 (0.65) | ROCK2DRD2DRD4SIGMAR1ALDH1A1 |
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-8048879-B2 | Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |