Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733150 | 0.80 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HTR3EHTR3BCYP1A2 | |
| SCHEMBL9318637 | 0.77 | TYMS (0.38) | ALDH1A1CYP3A4HTR3EHTR3BCYP1A2 | |
| SCHEMBL6699333 | 0.72 | MAPT (0.39) | ALDH1A1CYP1A2KDM4EMAPTRAB9A | |
| SCHEMBL9318047 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HTR3EHTR3BCYP1A2 | |
| SCHEMBL9318302 | 0.70 | ALDH1A1 (0.64) | ALDH1A1CYP3A4HTR3EHTR3BCYP1A2 | |
| SCHEMBL9319076 | 0.70 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL26650780 | 0.69 | NQO2 (0.51) | NQO2ALDH1A1CYP3A4KDM4ENPC1 | |
| SCHEMBL31357879 | 0.69 | NQO2 (0.55) | NQO2ALDH1A1CYP3A4KDM4ENPC1 | |
| SCHEMBL27627374 | 0.67 | BACE1 (0.41) | HTTPARP1TLR9TLR8TLR7 | |
| SCHEMBL9786136 | 0.67 | LMNA (0.43) | ALDH1A1MAPTKCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5372813-A | Measurement of serotonin uptake sites in a sample using a radio labeled substituted 6-nitroquipazine as a radioligand | THE REGENTS, UNIVERSITY OF CALIFORNIA (US) | 1994-12-13 | — | — | US | disclosed |