Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7890961 | 0.78 | SIGMAR1 (0.40) | SIGMAR1RXFP1HPGDHSP90AA1SETD7 | |
| SCHEMBL7899238 | 0.72 | — | — | |
| SCHEMBL10956840 | 0.70 | — | — | |
| SCHEMBL7900621 | 0.69 | SIGMAR1 (0.42) | SIGMAR1RXFP1HPGDHSP90AA1SETD7 | |
| SCHEMBL6634977 | 0.65 | SIGMAR1 (0.45) | SIGMAR1RXFP1HPGDHSP90AA1SETD7 | |
| SCHEMBL8358137 | 0.64 | SIGMAR1 (0.81) | SIGMAR1RXFP1HPGDMKNK1MKNK2 | |
| SCHEMBL13295236 | 0.64 | SIGMAR1 (0.47) | SIGMAR1RXFP1HPGDHSP90AA1HRH4 | |
| SCHEMBL9396214 | 0.62 | CA2 (0.59) | SIGMAR1RXFP1HPGDHSP90AA1HRH4 | |
| SCHEMBL8253848 | 0.61 | RXFP1 (0.77) | SIGMAR1RXFP1HSP90AA1HRH4HRH3 | |
| SCHEMBL304221 | 0.61 | SIGMAR1 (0.68) | SIGMAR1RXFP1HPGDMKNK1MKNK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191273-B1 | 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS | ISIS PHARMACEUTICALS, INC. | 2001-02-20 | — | — | US | disclosed |
| WO-1999011612-A2 | SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-11 | — | — | WO | disclosed |