Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563606 | 0.77 | NPC1 (0.42) | NPC1MAPK1KMT2API4KAPI4K2B | |
| SCHEMBL9405397 | 0.75 | NPC1 (0.49) | NPC1MAPK1KMT2API4KAPI4K2B | |
| SCHEMBL20402553 | 0.75 | HTR1A (0.34) | — | |
| SCHEMBL5638922 | 0.72 | NPC1 (0.49) | NPC1MAPK1KMT2API4KAPI4K2B | |
| SCHEMBL28330184 | 0.72 | PI4KA (0.49) | NPC1MAPK1KMT2API4KAPI4K2B | |
| SCHEMBL31202561 | 0.71 | CYP2A6 (0.46) | NPC1MAPK1PI4KAPI4K2BPI4K2A | |
| SCHEMBL27659057 | 0.70 | P2RX4 (0.46) | NPC1MAPK1PI4KAPI4K2BPI4K2A | |
| SCHEMBL4866386 | 0.70 | NPC1 (0.46) | NPC1MAPK1PI4KAPI4K2BPI4K2A | |
| SCHEMBL28367072 | 0.69 | NPC1 (0.45) | NPC1MAPK1KMT2API4KAPI4K2B | |
| SCHEMBL27944468 | 0.69 | NPC1 (0.45) | NPC1MAPK1KMT2API4KAPI4K2B |
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-0821675-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033176-A1 | NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-10-24 | — | — | WO | disclosed |