Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.58 |
| ▸ | JAK2 | O60674 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10367725 | 0.86 | NPC1 (0.55) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL2892022 | 0.85 | NPC1 (0.61) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL10964238 | 0.85 | ALDH1A1 (0.66) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL28177519 | 0.85 | NPC1 (0.54) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL6003412 | 0.84 | NPC1 (0.59) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL817611 | 0.84 | NPC1 (0.59) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL24638661 | 0.82 | NPC1 (0.58) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL11432329 | 0.82 | NPC1 (0.58) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL2816243 | 0.82 | NPC1 (0.62) | NPC1RAB9APAX8JAK2TP53 | |
| SCHEMBL1506356 | 0.82 | NPC1 (0.58) | NPC1RAB9APAX8JAK2TP53 |
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-1406866-A1 | INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003008374-A1 | INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2003-01-30 | — | — | WO | disclosed |
| US-3987192-A | ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID | THE UPJOHN COMPANY (US) | 1976-10-19 | — | — | US | disclosed |