Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8630641 | 0.76 | MAPT (0.64) | NPC1MAPTHCAR2HCAR3KDM4E | |
| SCHEMBL8634643 | 0.76 | MAPT (0.64) | NPC1MAPTHCAR2HCAR3KDM4E | |
| SCHEMBL8630183 | 0.76 | MAPT (0.64) | NPC1MAPTHCAR2HCAR3KDM4E | |
| SCHEMBL8632002 | 0.73 | NPC1 (1.00) | NPC1MAPTHCAR2HCAR3KDM4E | |
| SCHEMBL8632714 | 0.71 | NPC1 (0.42) | NPC1MAPTHCAR2HCAR3CYP1A2 | |
| SCHEMBL8630235 | 0.71 | NPC1 (0.42) | NPC1MAPTHCAR2HCAR3CYP1A2 | |
| SCHEMBL5671163 | 0.70 | NPC1 (0.50) | NPC1MAPTHTTHCAR2KDM4E | |
| SCHEMBL8629003 | 0.66 | NPC1 (0.49) | NPC1MAPTHCAR2HCAR3KDM4E | |
| SCHEMBL22766689 | 0.65 | KDM4E (0.38) | NPC1CNR1HTTGPR35GPR55 | |
| SCHEMBL10372567 | 0.65 | GRIA1 (0.36) | NPC1MAPTCA1CA2CA7 |
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-0695308-A1 | NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024152-A1 | NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) | 1994-10-27 | — | — | WO | disclosed |