Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6463648 | 0.99 | CTSS (0.39) | CCR1CTSSNPC1RAB9AALDH1A1 | |
| SCHEMBL6465743 | 0.90 | CTSS (0.40) | CCR1CTSSBACE1LMNAKMT2A | |
| SCHEMBL6462284 | 0.83 | PTPN1 (0.39) | CCR1LMNAMAPTFAAHHDAC3 | |
| SCHEMBL6462669 | 0.81 | CCR1 (0.35) | CCR1CTSSNPC1RAB9AMMP1 | |
| SCHEMBL6467437 | 0.79 | PTPN1 (0.41) | NPC1RAB9AHDAC3HDAC4HDAC1 | |
| SCHEMBL7045440 | 0.77 | HPGD (0.41) | CTSSNPC1RAB9AALDH1A1HPGD | |
| SCHEMBL6473317 | 0.70 | MMP1 (0.40) | CCR1CTSSNPC1RAB9AMMP1 | |
| SCHEMBL7045920 | 0.69 | CTSL (0.40) | CTSSNPC1RAB9AALDH1A1HPGD | |
| SCHEMBL5671353 | 0.67 | MMP2 (0.36) | CCR1CTSSNPC1RAB9AMMP1 | |
| SCHEMBL7049302 | 0.67 | FAAH (0.40) | NPC1RAB9AALDH1A1GAAHPGD |
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-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |