Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 14/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.43 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10599264 | 0.86 | HTT (0.50) | ABCB1TSHRKCNH2ADRB2ADRB1 | |
| SCHEMBL16672822 | 0.78 | HCRTR1 (0.54) | TSHRLMNAMAPK1 | |
| SCHEMBL14822991 | 0.75 | KDM4E (0.62) | LMNACYP1A2CYP2D6ADRB2ADRB1 | |
| SCHEMBL29191526 | 0.75 | PTGER1 (0.49) | LMNASMN1; SMN2 | |
| SCHEMBL11657250 | 0.73 | CA1 (0.53) | TSHRMAPK1 | |
| SCHEMBL4779721 | 0.72 | MAPT (0.57) | TSHRLMNAKCNK3SMN1; SMN2TP53 | |
| SCHEMBL30364396 | 0.72 | MAPT (0.57) | TSHRLMNAKCNK3SMN1; SMN2TP53 | |
| SCHEMBL10599258 | 0.72 | MAPT (0.62) | TSHRLMNAADRB2ADRB1ADRB3 | |
| SCHEMBL9661261 | 0.72 | CA1 (0.66) | TSHRCYP1A2CYP2D6CYP3A4MAPK1 | |
| SCHEMBL7242401 | 0.72 | CA1 (0.54) | TSHRLMNAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020027150-A1 | BENZENE DERIVATIVE | 小野薬品工業株式会社 | 2020-02-06 | — | — | WO | disclosed |