Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR4 | P51679 | 2/20 | 0.36 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3724272 | 0.95 | FKBP1A (0.37) | ALDH1A1KMT2AFKBP1A | |
| SCHEMBL696150 | 0.92 | FKBP1A (0.40) | CCR4ALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL3719340 | 0.90 | RAB9A (0.37) | CCR4RAB9AMEN1KMT2AKEAP1 | |
| SCHEMBL696225 | 0.88 | KMT2A (0.37) | ALDH1A1MEN1KMT2A | |
| SCHEMBL695772 | 0.86 | ALDH1A1 (0.41) | ACEALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL3721306 | 0.83 | CTSS (0.34) | ALDH1A1HPGDKMT2AKEAP1CHRM4 | |
| SCHEMBL696054 | 0.83 | ACE (0.37) | ACEALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL694457 | 0.82 | AADAT (0.36) | KEAP1CHRM4 | |
| SCHEMBL696136 | 0.81 | AADAT (0.39) | HPGDKEAP1CHRM4 | |
| SCHEMBL690481 | 0.79 | TSHR (0.36) | ALDH1A1HPGDKMT2ACHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421826-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010121918-A1 | PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |