Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | QDPR | P09417 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 2/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL14720829 | 0.91 | CYP1A2 (0.50) | CYP1A2TDP1NOTUMKDM4ESMN1; SMN2 | |
| SCHEMBL641829 | 0.78 | CYP1A2 (0.43) | CYP1A2TDP1NOTUMKDM4ESMN1; SMN2 | |
| SCHEMBL14340034 | 0.77 | CYP1A2 (0.41) | CYP1A2TDP1NOTUMKDM4ESMN1; SMN2 | |
| SCHEMBL1206984 | 0.75 | — | — | |
| SCHEMBL9800 | 0.75 | — | — | |
| SCHEMBL23106 | 0.75 | — | — | |
| SCHEMBL3948604 | 0.75 | — | — | |
| SCHEMBL13308642 | 0.74 | CYP1A2 (0.39) | CYP1A2TDP1NOTUMKDM4ESMN1; SMN2 | |
| SCHEMBL13900987 | 0.74 | CYP1A2 (0.39) | CYP1A2TDP1NOTUMKDM4ESMN1; SMN2 | |
| SCHEMBL60330 | 0.73 | TDP1 (0.57) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD |
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-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |