Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 9/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP7 | P09237 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL696054 | 0.91 | ACE (0.37) | FKBP1AALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL695637 | 0.89 | FKBP1A (0.42) | FKBP1ALTA4HALDH1A1MAPTHPGD | |
| SCHEMBL696150 | 0.84 | FKBP1A (0.40) | FKBP1ALTA4HALDH1A1MAPTHPGD | |
| SCHEMBL696236 | 0.81 | ADORA2A (0.35) | SMN1; SMN2RAB9ASCN9A | |
| SCHEMBL695772 | 0.80 | ALDH1A1 (0.41) | FKBP1AALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL694464 | 0.76 | MCHR1 (0.41) | ALDH1A1MAPT | |
| SCHEMBL695528 | 0.75 | CCR4 (0.36) | FKBP1AALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL696511 | 0.72 | KMT2A (0.33) | MAPTHSD17B10 | |
| SCHEMBL696114 | 0.71 | DRD2 (0.38) | FKBP1AALDH1A1MAPT | |
| SCHEMBL3719340 | 0.71 | RAB9A (0.37) | RAB9A |
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 |