Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9873229 | 0.92 | NPC1 (0.41) | PDE10AALDH1A1HSD17B10HTTNPC1 | |
| SCHEMBL8598436 | 0.87 | TNF (0.41) | PDE10AALDH1A1HSD17B10HTTNPC1 | |
| SCHEMBL9875402 | 0.85 | TNF (0.40) | PDE10AALDH1A1HSD17B10HTTNPC1 | |
| SCHEMBL6628033 | 0.80 | ALDH1A1 (0.50) | PDE10AALDH1A1HSD17B10HTTNPBWR1 | |
| SCHEMBL29702360 | 0.80 | LRRK2 (0.50) | PDE10AALDH1A1HSD17B10HTTKDM4E | |
| SCHEMBL26100427 | 0.80 | LRRK2 (0.50) | PDE10AALDH1A1HSD17B10HTTKDM4E | |
| Hydrochloric Acid SCHEMBL9874495 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HTTMAPTKMT2A | |
| Ethoxycarbonyl Group SCHEMBL28815733 | 0.76 | PDE10A (0.43) | PDE10AALDH1A1HSD17B10HTTKDM4E | |
| Hydrochloric Acid SCHEMBL9874010 | 0.74 | HTR1A (0.48) | — | |
| Hydrochloric Acid SCHEMBL9872598 | 0.74 | THRB (0.54) | ALDH1A1KDM4EMEN1KMT2A |
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-0875512-A2 | New naphthylpiperazine derivatives with antipsychotic activity | FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) | 1998-11-04 | — | — | EP | disclosed |
| US-4983606-A | Pharmaceutically-active phthalazine compounds | ZAMBON GROUP S.P.A. (IT) | 1991-01-08 | — | — | US | disclosed |