Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 3/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL8379832 | 0.81 | ADORA2A (0.50) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL8375810 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL7097439 | 0.77 | ALDH1A1 (0.73) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL8380917 | 0.74 | HTR2A (0.54) | HTR2AHTR2CSMN1; SMN2LTA4HIDO1 | |
| Hydrochloric Acid SCHEMBL7522555 | 0.73 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| Hydrochloric Acid SCHEMBL7097609 | 0.73 | HTR2A (0.62) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL23612255 | 0.73 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL30055740 | 0.73 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL34461806 | 0.72 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMHTR2AHTR2C | |
| SCHEMBL8097615 | 0.71 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMNPSR1LMNA |
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 |