Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093613 | 0.99 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTNPSR1HTR2A | |
| SCHEMBL7096925 | 0.85 | PNP (0.48) | ALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL7094111 | 0.84 | PNP (0.47) | ALDH1A1MAPTHTR2AHTR2C | |
| SCHEMBL1443548 | 0.80 | L3MBTL1 (0.64) | ALDH1A1L3MBTL1MAPTNPSR1HTR2A | |
| SCHEMBL5254664 | 0.75 | L3MBTL1 (0.64) | ALDH1A1L3MBTL1MAPTNPSR1POLB | |
| SCHEMBL9168971 | 0.71 | L3MBTL1 (0.60) | ALDH1A1L3MBTL1MAPTNPSR1POLB | |
| Hydrochloric Acid SCHEMBL3219442 | 0.70 | TLR8 (0.65) | TLR8 | |
| SCHEMBL11140600 | 0.70 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1MAPTNPSR1NPC1 | |
| SCHEMBL4714041 | 0.69 | PDE10A (0.47) | MAPTTLR8 | |
| SCHEMBL18473531 | 0.69 | L3MBTL1 (0.56) | ALDH1A1L3MBTL1MAPTNPSR1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194415-B1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 2003-08-20 | — | — | EP | disclosed |
| US-6469168-B1 | FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, ESPECIALLY ANXIETY | EGIS Gyógyszergyár Rt. (HU) | 2002-10-22 | — | — | US | disclosed |
| EP-1194415-A2 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THEIR PREPARATION | Egis Gyogyszergyar Rt. (HU) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001000617-A2 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE SAME | EGIS Gyógyszergyár Rt. (HU) | 2001-01-04 | — | — | WO | disclosed |