Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3804776 | 0.84 | ALOX5 (0.52) | HTTALDH1A1CA2POLBESR2 | |
| SCHEMBL451672 | 0.84 | ADRA2A (0.51) | HTTALDH1A1CA2POLBESR2 | |
| SCHEMBL1568315 | 0.81 | HTT (0.60) | HTTHPGDALDH1A1CA2POLB | |
| SCHEMBL3254655 | 0.81 | ADRA2A (0.53) | HTTALDH1A1CA2POLBESR2 | |
| SCHEMBL442554 | 0.80 | ALDH1A1 (0.61) | HTTHPGDALDH1A1CA2POLB | |
| SCHEMBL1568297 | 0.79 | HTT (0.62) | HTTHPGDALDH1A1POLBMTNR1A | |
| SCHEMBL4553361 | 0.79 | HTT (0.71) | HTTHPGDALDH1A1POLBMTNR1A | |
| SCHEMBL8282390 | 0.78 | CA2 (0.59) | CA2MTNR1ADRD3RAB9ASMN1; SMN2 | |
| SCHEMBL18729213 | 0.78 | CA2 (0.52) | HTTCA2MTNR1ADRD3SMN1; SMN2 | |
| SCHEMBL1568393 | 0.78 | HTT (0.66) | HTTHPGDALDH1A1CA2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4140781-A | Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans | CIBA-GEIGY CORPORATION (US) | 1979-02-20 | — | — | US | disclosed |
| US-4129655-A | Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans | CIBA-GEIGY CORPORATION (US) | 1978-12-12 | — | — | US | disclosed |
| US-4104396-A | NEUROLEPTIC, ANALGESIC | CIBA-GEIGY CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |
| US-4039676-A | NEUROLEPTIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1977-08-02 | — | — | US | disclosed |