Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22895119 | 0.79 | PRSS1 (0.47) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL8103623 | 0.77 | CA2 (0.52) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL8745503 | 0.77 | CA2 (0.52) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL22955288 | 0.76 | CA1 (0.44) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL27840151 | 0.72 | HSD17B10 (0.47) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL6995470 | 0.72 | HMGCR (0.46) | CYP2C19HIF1ATSHRALDH1A1POLB | |
| SCHEMBL28142782 | 0.70 | CA2 (0.54) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL473504 | 0.69 | CYP2C19 (0.53) | CYP2C19HIF1ASMN1; SMN2MMP8ALDH1A1 | |
| SCHEMBL8745506 | 0.69 | CA1 (0.44) | TSHRSMN1; SMN2MMP1MMP13CA1 | |
| SCHEMBL2198863 | 0.69 | PRSS1 (0.58) | TSHRSMN1; SMN2MMP1MMP13CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |