Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1509747 | 1.00 | HSPA5 (0.50) | HSPA5KDM4CNPC1RAB9AEGLN1 | |
| SCHEMBL12724861 | 0.84 | HSPA5 (0.53) | HSPA5NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL1509778 | 0.79 | MAPT (0.49) | HSPA5KMT2AMEN1ALDH1A1 | |
| SCHEMBL27460343 | 0.79 | HSPA5 (0.40) | HSPA5KDM4CNPC1RAB9A | |
| SCHEMBL8645316 | 0.79 | HSPA5 (0.40) | HSPA5KDM4CNPC1RAB9A | |
| SCHEMBL8890777 | 0.79 | HSPA5 (0.49) | HSPA5NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL8890772 | 0.79 | HSPA5 (0.49) | HSPA5NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL11142669 | 0.78 | HSPA5 (0.48) | HSPA5NPC1RAB9AKMT2A | |
| SCHEMBL12450657 | 0.77 | HSPA5 (0.48) | HSPA5NPC1RAB9A | |
| SCHEMBL27460341 | 0.77 | HSPA5 (0.41) | HSPA5NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1980658-A | Treatment of diseases using ICE inhibitors | VERTEX PHARMA (US) | 2007-06-13 | — | — | CN | disclosed |
| CN-1298707-C | Imidazole and benzimidazole caspase inhibitors and uses thereof | VERTEX PHARMA INC (US) | 2007-02-07 | — | — | CN | disclosed |
| CN-1481367-A | Imidazole and benzimiddzole caspase inhibitors and uses thereof | ��̩��˹ҩ��ɷ�����˾ | 2004-03-10 | — | — | CN | disclosed |