Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.54 |
| ▸ | HTR2C | P28335 | 7/20 | 0.54 |
| ▸ | PNP | P00491 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8378051 | 0.80 | HTR2A (0.59) | HTR2AHTR2CSMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL7096925 | 0.80 | PNP (0.48) | HTR2AHTR2CPNPLTA4HTLR7 | |
| Hydrochloric Acid SCHEMBL8380954 | 0.79 | HTR2A (0.58) | HTR2AHTR2CSMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL7094111 | 0.78 | PNP (0.47) | HTR2AHTR2CPNPLTA4HTLR7 | |
| SCHEMBL7099072 | 0.77 | HTR2A (0.69) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7097008 | 0.76 | HTR2A (0.65) | HTR2AHTR2C | |
| SCHEMBL8379832 | 0.76 | ADORA2A (0.50) | HTR2AHTR2CSMN1; SMN2ABCB1ADORA2A | |
| Hydrochloric Acid SCHEMBL7095911 | 0.75 | HTR2A (0.52) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7093513 | 0.75 | HTR2A (0.61) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7093698 | 0.75 | HTR2A (0.63) | HTR2AHTR2C |
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-0901473-A1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS | EGIS GYOGYSZERGYAR RT. (HU) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997016429-A1 | NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS | EGIS Gyógyszergyár Rt. (HU) | 1997-05-09 | — | — | WO | disclosed |