Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8446435 | 1.00 | HTR1A (0.53) | HTR1ACYP1A2CYP3A4RECQLKDM4E | |
| SCHEMBL8445652 | 0.82 | DRD2 (0.66) | HTR1AADRA1ADRD2 | |
| SCHEMBL9775650 | 0.80 | DRD2 (0.62) | HTR1ACYP1A2CYP3A4RECQLKDM4E | |
| SCHEMBL9775654 | 0.80 | DRD2 (0.62) | HTR1ACYP1A2CYP3A4RECQLKDM4E | |
| SCHEMBL1315358 | 0.75 | HTR1A (0.59) | HTR1AMEN1KMT2AHTR7 | |
| SCHEMBL8442174 | 0.74 | HTR1A (0.57) | HTR1ACYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL7758410 | 0.74 | HTR1A (0.53) | HTR1ACYP3A4CYP2D6ADRA1ADRD2 | |
| SCHEMBL9280040 | 0.74 | HTR1A (0.77) | HTR1ACYP1A2CYP3A4RECQLKDM4E | |
| SCHEMBL11626341 | 0.73 | RECQL (0.68) | HTR1ACYP1A2CYP3A4RECQLKDM4E | |
| SCHEMBL30547268 | 0.73 | RECQL (0.68) | HTR1ACYP1A2CYP3A4RECQLKDM4E |
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 6 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-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 |