Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 3/20 | 0.39 |
| ▸ | RXRB | P28702 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27966126 | 0.80 | TSHR (0.42) | TPMTTSHRALDH1A1 | |
| SCHEMBL8979358 | 0.79 | TPMT (0.64) | TPMTHCAR1HCAR2MRGPRX4TTR | |
| SCHEMBL28104156 | 0.78 | POLB (0.40) | TPMTHCAR2MRGPRX4TTRRXRA | |
| SCHEMBL6954785 | 0.77 | TPMT (0.61) | TPMTHCAR1HCAR2MRGPRX4TTR | |
| SCHEMBL27709068 | 0.76 | TPMT (0.59) | TPMTHCAR1HCAR2MRGPRX4TTR | |
| SCHEMBL69625 | 0.75 | TPMT (0.89) | TPMTHCAR1HCAR2TTRRXRA | |
| SCHEMBL28214359 | 0.75 | TPMT (1.00) | TPMTHCAR1HCAR2TTRRXRA | |
| SCHEMBL23699 | 0.75 | TPMT (1.00) | TPMTHCAR1HCAR2TTRRXRA | |
| SCHEMBL20494155 | 0.75 | FFAR4 (0.35) | MRGPRX4TSHR | |
| SCHEMBL11771738 | 0.74 | TPMT (0.57) | TPMTHCAR1HCAR2MRGPRX4TTR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073748-B | New octahydro-pyrrolo- [3,4-c]-azole derivatives as autotaxin inhibitors and the like | 豪夫迈·罗氏有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-104684915-B | Novel bicyclic derivative | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |