Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | TPMT | P51580 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12538491 | 0.92 | CA12 (0.69) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL27051765 | 0.86 | TSHR (0.49) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL27051593 | 0.86 | TSHR (0.50) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL9202280 | 0.84 | ALOX15 (0.55) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL30154503 | 0.79 | TSHR (1.00) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL640263 | 0.79 | TSHR (1.00) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL29165985 | 0.78 | SMN1; SMN2 (0.62) | TSHRALDH1A1ALOX15CA12CA1 | |
| Hydrochloric Acid SCHEMBL9650466 | 0.78 | TSHR (0.96) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL9589650 | 0.78 | ALOX15 (0.60) | ALDH1A1ALOX15ADRB2ADRA2ADRD2 | |
| SCHEMBL10541988 | 0.78 | TSHR (0.96) | TSHRRAB9AKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0700908-A1 | 1-Arylpyrimidine derivatives and pharmaceutical use thereof | JAPAN ENERGY CORPORATION (JP) | 1996-03-13 | — | — | EP | disclosed |