Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.49 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.41 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2369405 | 0.92 | DDB1 (0.51) | KDM4EALDH1A1L3MBTL1DDB1CRBN | |
| SCHEMBL18607516 | 0.78 | HCAR3 (0.47) | KDM4EALDH1A1L3MBTL1HCAR3PDGFRB | |
| SCHEMBL22877248 | 0.78 | HCAR3 (0.44) | KDM4EALDH1A1L3MBTL1HCAR3PDGFRB | |
| SCHEMBL17031587 | 0.78 | HCAR3 (0.44) | KDM4EALDH1A1L3MBTL1HCAR3PDGFRB | |
| SCHEMBL22877206 | 0.77 | HCAR3 (0.46) | KDM4EALDH1A1L3MBTL1HCAR3PDGFRB | |
| SCHEMBL13115780 | 0.77 | HCAR3 (0.58) | KDM4EALDH1A1L3MBTL1HCAR3PDGFRB | |
| SCHEMBL22895365 | 0.77 | HRH3 (0.47) | ALDH1A1DDB1CRBNCYP1A2 | |
| SCHEMBL30825858 | 0.77 | DDB1 (0.43) | DDB1CRBNHCAR3 | |
| SCHEMBL30825997 | 0.77 | DDB1 (0.43) | DDB1CRBNHCAR3 | |
| SCHEMBL27252149 | 0.77 | DDB1 (0.43) | DDB1CRBNHCAR3 |
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-3107898-B1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2021-01-06 | — | — | EP | disclosed |