Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973213 | 0.85 | PTPN1 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9375230 | 0.80 | AURKA (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9410375 | 0.77 | NPC1 (0.39) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9529628 | 0.77 | NPC1 (0.39) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9410317 | 0.76 | SRC (0.47) | NPC1MITFRAB9AALDH1A1MAPT | |
| SCHEMBL28629553 | 0.76 | CRBN (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL30114834 | 0.76 | CRBN (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7348087 | 0.76 | NPC1 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8547976 | 0.75 | NPC1 (0.40) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL11266794 | 0.74 | NPC1 (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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-0709384-B1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | EP | disclosed |
| EP-0709384-A1 | Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors | MERCK PATENT GmbH (DE) | 1996-05-01 | — | — | EP | disclosed |
| US-4514401-A | CARDIOTONICS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-04-30 | — | — | US | disclosed |