Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | RAB9A | P51151 | 6/20 | 0.68 |
| ▸ | MAPT | P10636 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.68 |
| ▸ | RELA | Q04206 | 2/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.64 |
| ▸ | HTR3A | P46098 | 1/20 | 0.63 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SORD | Q00796 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21591674 | 0.84 | HCAR2 (0.48) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11076800 | 0.84 | HCRTR1 (0.65) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL15141001 | 0.82 | HCAR2 (0.50) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5239212 | 0.80 | KDM4E (0.68) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29931500 | 0.80 | KDM4E (0.68) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4063357 | 0.80 | CKS1B (0.69) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5055256 | 0.79 | HCAR2 (1.00) | HCAR2 | |
| Bromide SCHEMBL21591720 | 0.79 | NPC1 (0.47) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL21591721 | 0.79 | NPC1 (0.47) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL31184151 | 0.79 | NPC1 (0.72) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 |
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-1828154-A1 | PHENYL-PIPERAZIN METHANONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061135-A1 | PHENYL-PIPERAZIN METHANONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-15 | — | — | WO | disclosed |