Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | ATM | Q13315 | 1/20 | 0.73 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7093887 | 0.78 | HSP90AB1 (0.45) | ALDH1A1CYP2D6ATMSMN1; SMN2IDO1 | |
| SCHEMBL8376201 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| Hydrochloric Acid SCHEMBL7522555 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL23612255 | 0.76 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL30055740 | 0.76 | ALDH1A1 (0.82) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL7093994 | 0.75 | ALDH1A1 (0.45) | ALDH1A1CYP2D6ATMSMN1; SMN2IDO1 | |
| SCHEMBL34461806 | 0.75 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL7098438 | 0.75 | DHFR (0.52) | ALDH1A1HTR2AHTR2CDHFR | |
| SCHEMBL8097615 | 0.75 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMNPSR1LMNA | |
| SCHEMBL28585742 | 0.74 | ALDH1A1 (0.64) | 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 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 |