Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 7/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GGT1 | P19440 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27095359 | 0.80 | HTR2C (0.41) | HTR2CPPARAPPARGKDM4EHSD17B10 | |
| SCHEMBL9056875 | 0.78 | HTR6 (0.55) | PTGS2MAPK1BCHEHTR6 | |
| SCHEMBL2586397 | 0.78 | MCL1 (0.41) | KDM4EMCL1ALDH1A1 | |
| SCHEMBL30808103 | 0.77 | HTR2C (0.55) | HTR2CKDM4EHTR6 | |
| SCHEMBL6085083 | 0.76 | HTR6 (0.44) | KDM4EMCL1HTR6 | |
| SCHEMBL2593643 | 0.76 | NR4A2 (0.53) | HSD17B10NPC1RAB9ATSHR | |
| SCHEMBL14353267 | 0.75 | DHFR (0.39) | HTR2CPPARAPPARGPTGS2MCL1 | |
| SCHEMBL8388912 | 0.75 | CNR1 (0.45) | HTR2CKDM4EMCL1ALDH1A1HTR6 | |
| SCHEMBL16742900 | 0.75 | RHEB (0.54) | KDM4EHSD17B10PTGS2MAPK1ALDH1A1 | |
| SCHEMBL8389282 | 0.74 | HTR6 (0.48) | PPARAPPARGBCHEHTR6 |
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-102858764-B | Pyrimidinyl indole compounds | HUTCHISON MEDIPHARMA SHANGHAI LTD | 2014-08-20 | — | — | CN | disclosed |
| CN-102858764-A | Pyrimidinyl indole compounds | HUTCHISON MEDIPHARMA SHANGHAI LTD | 2013-01-02 | — | — | CN | disclosed |