Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22487928 | 0.81 | SMN1; SMN2 (0.56) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 | |
| SCHEMBL4739312 | 0.79 | CYP2A6 (0.34) | SMN1; SMN2ALDH1A1L3MBTL1KIF11 | |
| SCHEMBL4744101 | 0.79 | SCN10A (0.35) | — | |
| SCHEMBL31695181 | 0.76 | SMN1; SMN2 (0.51) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 | |
| SCHEMBL2923502 | 0.76 | SMN1; SMN2 (0.78) | SMN1; SMN2TDP1HSP90AA1ESR2KDM4E | |
| SCHEMBL23280152 | 0.71 | SMN1; SMN2 (0.49) | SMN1; SMN2KDM4EALDH1A1LMNAHTT | |
| SCHEMBL24602846 | 0.70 | TDP1 (0.47) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 | |
| SCHEMBL1106071 | 0.70 | TDP1 (0.76) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 | |
| SCHEMBL766092 | 0.70 | TDP1 (0.49) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 | |
| SCHEMBL6472733 | 0.70 | TDP1 (0.44) | SMN1; SMN2TDP1HSP90AA1ESR2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |