Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6828765 | 0.82 | ALDH1A1 (0.50) | ADRA1ARAB9AUSP2ALDH1A1L3MBTL1 | |
| SCHEMBL6826119 | 0.81 | RXRA (0.46) | ADRA1DADRA1AADRA1BNPSR1RXRA | |
| SCHEMBL7131180 | 0.74 | MAOB (0.51) | RAB9AUSP2ALDH1A1L3MBTL1TDP1 | |
| SCHEMBL9900205 | 0.73 | ADRA1D (0.43) | ADRA1DADRA1AADRA1BALDH1A1CYP3A4 | |
| SCHEMBL20546761 | 0.73 | ADRA1D (0.39) | ADRA1DADRA1AADRA1BCDK4CCND1 | |
| SCHEMBL6829019 | 0.72 | MRGPRX4 (0.60) | NPSR1RXRARXRBRXRGRAB9A | |
| SCHEMBL7126366 | 0.72 | L3MBTL1 (0.43) | RAB9AALDH1A1L3MBTL1NPC1SMN1; SMN2 | |
| SCHEMBL6828913 | 0.71 | MAOB (0.49) | RAB9AALDH1A1GLATDP1NPC1 | |
| SCHEMBL16901841 | 0.70 | DPP4 (0.45) | ADRA1DADRA1AADRA1BRAB9AALDH1A1 | |
| SCHEMBL1539539 | 0.70 | CDK4 (0.61) | ADRA1DADRA1AADRA1BNPSR1CDK4 |
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-2004037808-A1 | 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2004-05-06 | — | — | WO | disclosed |