Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 5/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | NSD2 | O96028 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | DDO | Q99489 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SETD2 | Q9BYW2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3252852 | 0.80 | HRH4 (0.55) | HRH4DRD2DRD3IP6K1IP6K3 | |
| SCHEMBL3855959 | 0.79 | HRH4 (0.59) | HRH4DRD2DRD3NSD2MAPT | |
| SCHEMBL22271441 | 0.69 | CYP1A2 (0.63) | KDM4EALDH1A1LMNAGAAMAPT | |
| SCHEMBL24508175 | 0.69 | PIK3CD (0.55) | IP6K1IP6K3IP6K2ALDH1A1LMNA | |
| SCHEMBL3255853 | 0.69 | IP6K1 (0.43) | HRH4IP6K1IP6K3IP6K2LMNA | |
| SCHEMBL25900344 | 0.67 | CYP1A2 (0.47) | IP6K1IP6K3IP6K2ALDH1A1GAA | |
| SCHEMBL22104724 | 0.67 | CYP1A2 (0.55) | — | |
| SCHEMBL9965310 | 0.67 | NPC1 (0.57) | HRH4DRD2DRD3 | |
| SCHEMBL3253910 | 0.66 | IP6K1 (0.45) | IP6K1IP6K3IP6K2ALDH1A1LMNA | |
| SCHEMBL8273319 | 0.66 | PGR (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2102207-B1 | SPIRO-PIPERIDINE DERIVATIVES AS VIA RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-06-02 | — | — | EP | disclosed |