Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8379832 | 0.81 | ADORA2A (0.50) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL8376201 | 0.79 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL7092922 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1TDP1TSHR | |
| SCHEMBL8378064 | 0.74 | ADK (0.60) | ALDH1A1CYP3A4MAPK1TDP1TSHR | |
| Hydrochloric Acid SCHEMBL7096922 | 0.73 | HTR2A (0.46) | ALDH1A1CYP2D6HTR2AHTR2C | |
| SCHEMBL4228896 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1TDP1TSHR | |
| SCHEMBL8378051 | 0.68 | HTR2A (0.59) | ALDH1A1TDP1HTR2AHTR2CADORA1 | |
| Hydrochloric Acid SCHEMBL8380954 | 0.67 | HTR2A (0.58) | ALDH1A1TDP1HTR2AHTR2CADORA1 | |
| SCHEMBL76217 | 0.67 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1TDP1TSHR | |
| SCHEMBL12679051 | 0.67 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1TDP1TSHR |
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 |