Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 5/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8443672 | 0.79 | ALDH1A1 (0.65) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL9775645 | 0.78 | KDM4E (0.64) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL8443516 | 0.77 | HTR1A (0.65) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL8445391 | 0.77 | ALDH1A1 (0.82) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL3068737 | 0.74 | DRD3 (0.54) | CYP3A4ALDH1A1KDM4EHTR1AMEN1 | |
| SCHEMBL8445581 | 0.72 | DRD2 (0.65) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL2230435 | 0.72 | HTR1A (1.00) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL4087689 | 0.72 | HTR1A (1.00) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL29389745 | 0.72 | HTR1A (1.00) | CYP3A4ALDH1A1KDM4ECYP1A2HTR1A | |
| SCHEMBL11117471 | 0.70 | CACNA1G (0.55) | KDM4EHTR1AGAADRD4TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0955296-A2 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-11-10 | — | — | EP | claimed |
| US-4988814-A | Antidepressants and/or anxiolytic agents | AMERICAN HOME PRODUCTS CORP. (US) | 1991-01-29 | — | — | US | claimed |
| EP-0395313-A2 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1990-10-31 | — | — | EP | claimed |
| EP-0395313-B1 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PROD (US) | 1999-12-15 | — | — | EP | disclosed |
| EP-0955296-A2 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-11-10 | — | — | EP | disclosed |
| US-4988814-A | Antidepressants and/or anxiolytic agents | AMERICAN HOME PRODUCTS CORP. (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0395313-A2 | Tertiary alkyl functionalized piperazine derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1990-10-31 | — | — | EP | disclosed |