Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29207386 | 0.72 | ADRA2A (0.51) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL4189468 | 0.71 | ACP3 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1299225 | 0.69 | ADRA2A (0.35) | ADRA2AADRA2BADRA2C | |
| SCHEMBL2127427 | 0.68 | TSHR (0.55) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL15211048 | 0.68 | TSHR (0.55) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL6552363 | 0.68 | — | — | |
| SCHEMBL14600063 | 0.67 | ALDH1A1 (0.43) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL3412391 | 0.67 | ALDH1A1 (0.50) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL3412393 | 0.67 | CYP1A2 (0.50) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 | |
| SCHEMBL3410473 | 0.67 | ALDH1A1 (0.50) | ADRA2AADRA2BADRA2CALDH1A1CYP1A2 |
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-0607334-B1 | CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS | DU PONT MERCK PHARMA (US) | 1997-07-30 | — | — | EP | claimed |