Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
| ▸ | PIP4K2A | P48426 | 2/20 | 0.35 |
| ▸ | PIP4K2B | P78356 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28291608 | 0.90 | MMP2 (0.50) | MMP2MMP13ITKGRIN1GRIN2B | |
| SCHEMBL28072258 | 0.78 | MAPT (0.43) | MTNR1AMTNR1BKDM4EALDH1A1HPGD | |
| SCHEMBL28929782 | 0.76 | MTNR1A (0.57) | MTNR1AMTNR1BKDM4EALDH1A1LMNA | |
| SCHEMBL27550869 | 0.75 | DAO (0.42) | MTNR1AMTNR1BSMN1; SMN2DRD4DRD3 | |
| SCHEMBL28787309 | 0.75 | MTNR1A (0.36) | MTNR1AMTNR1BKDM4EALDH1A1HTT | |
| SCHEMBL28658782 | 0.75 | DAO (0.42) | MTNR1AMTNR1BKDM4E | |
| SCHEMBL28293162 | 0.75 | JAK2 (0.46) | MTNR1AMTNR1BKDM4EALDH1A1HPGD | |
| SCHEMBL28293148 | 0.74 | GHSR (0.39) | MTNR1AMTNR1B | |
| Ethoxycarbonyl Group SCHEMBL28293139 | 0.74 | PIP4K2A (0.51) | MMP2MMP13PIP4K2APIP4K2BHPGD | |
| SCHEMBL28687273 | 0.73 | MTNR1A (0.43) | MTNR1AMTNR1BALDH1A1HPGD |
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-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |