Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 10/20 | 0.41 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6309369 | 0.97 | CXCR4 (0.38) | CXCR4CXCL12KDM4EALDH1A1HRH4 | |
| SCHEMBL6305461 | 0.80 | KMT2A (0.46) | CXCR4CXCL12KDM4EALDH1A1POLB | |
| SCHEMBL6309368 | 0.77 | KMT2A (0.44) | CXCR4CXCL12KDM4EALDH1A1POLB | |
| SCHEMBL6302536 | 0.77 | SAT1 (0.37) | KDM4EALDH1A1KMT2A | |
| SCHEMBL6305044 | 0.74 | ALDH1A1 (0.38) | ALDH1A1HRH4HRH3KMT2A | |
| SCHEMBL6302963 | 0.72 | ALDH1A1 (0.39) | KDM4EALDH1A1HRH4HRH3KMT2A | |
| SCHEMBL26964992 | 0.72 | NPSR1 (0.41) | ALDH1A1HRH4POLBKMT2A | |
| SCHEMBL6309312 | 0.71 | ALDH1A1 (0.38) | KDM4EALDH1A1HRH4HRH3POLB | |
| SCHEMBL6305135 | 0.70 | ALDH1A1 (0.38) | ALDH1A1HRH4HRH3KMT2A | |
| SCHEMBL6308796 | 0.70 | EHMT2 (0.39) | ALDH1A1HRH4HRH3KMT2A |
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-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |