Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | BRD1 | O95696 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22434750 | 0.81 | TSHR (0.39) | CA1CA2TSHRHTTPSMB8 | |
| SCHEMBL30547820 | 0.77 | PPARG (0.36) | CA1CA2TSHRHTTPSMB8 | |
| SCHEMBL28779645 | 0.74 | MCL1 (0.51) | TSHRKDM4EALDH1A1NOTUM | |
| SCHEMBL28320210 | 0.74 | TSHR (0.42) | CA1CA2TSHRKDM4EUSP2 | |
| SCHEMBL2572438 | 0.73 | JAK2 (0.35) | ALDH1A1BRD1BRPF1 | |
| SCHEMBL20604986 | 0.70 | AR (0.44) | PSMB8BRD1BRPF1MAPTLMNA | |
| SCHEMBL18030921 | 0.70 | IMPDH2 (0.46) | CA1CA2TSHRHTTPSMB8 | |
| SCHEMBL17069069 | 0.69 | XDH (0.39) | CA1CA2TSHRHTTPSMB8 | |
| SCHEMBL20504911 | 0.67 | KDM4E (0.33) | CA1CA2TSHRKDM4EUSP2 | |
| SCHEMBL20604884 | 0.66 | IMPDH2 (0.46) | CA1CA2TSHRKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109153643-A | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2019-01-04 | — | — | CN | disclosed |