Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CPT2 | P23786 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3501951 | 0.79 | ALDH1A1 (0.44) | HMGCRCHRM1TBXA2RADRA1ATDP1 | |
| SCHEMBL8727012 | 0.79 | HMGCR (0.48) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL27492431 | 0.77 | KDM4E (0.30) | KDM4E | |
| SCHEMBL6995470 | 0.77 | HMGCR (0.46) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL27583543 | 0.73 | HMGCR (0.42) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL3502605 | 0.73 | TRPA1 (0.32) | — | |
| SCHEMBL27517694 | 0.70 | HMGCR (0.39) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL13560183 | 0.69 | — | — | |
| SCHEMBL28742558 | 0.69 | ALDH1A1 (0.42) | CYP2C19HIF1ATSHRCYP2D6ALDH1A1 | |
| SCHEMBL869206 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1476436-A | Novel compounds for use as HIV protease inhibitors | - | 2004-02-18 | — | — | CN | disclosed |
| EP-1339692-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2003-09-03 | — | — | EP | disclosed |
| US-6472404-B1 | HIV protease inhibitors | HOFFMANN-LA ROCHE INC. | 2002-10-29 | — | — | US | disclosed |
| WO-2002042277-A1 | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |