Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 2/20 | 0.51 |
| ▸ | PIP4K2B | P78356 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28291606 | 0.90 | PIP4K2A (0.51) | PIP4K2APIP4K2BESR1CYP19A1HTR6 | |
| SCHEMBL1607103 | 0.85 | PIP4K2A (0.64) | PIP4K2APIP4K2BESR1CYP19A1HTR6 | |
| Ethoxycarbonyl Group SCHEMBL27526972 | 0.77 | CYP2A6 (0.46) | ESR1CYP19A1MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL27785495 | 0.76 | TYR (0.62) | MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.76 | AHR (0.62) | ESR1MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL28658781 | 0.76 | AHR (0.62) | ESR1MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL27528322 | 0.76 | AHR (0.62) | ESR1MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL28043664 | 0.76 | CYP2A6 (0.45) | HTR6MAOACYP2A6HPGD | |
| Ethoxycarbonyl Group SCHEMBL28929781 | 0.75 | KMT2A (0.69) | ESR1MAOACYP2A6NPC1RAB9A | |
| Ethoxycarbonyl Group SCHEMBL27792586 | 0.74 | CYP2A6 (0.43) | MAOACYP2A6HPGD |
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 |