Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CHRND | Q07001 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28917647 | 0.99 | SMN1; SMN2 (0.41) | SMN1; SMN2TDP1NR1H4THRATHRB | |
| SCHEMBL28917700 | 0.91 | NR1H4 (0.40) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917692 | 0.89 | LMNA (0.47) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917623 | 0.88 | NPC1 (0.46) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917704 | 0.88 | NR1H4 (0.44) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917636 | 0.88 | LMNA (0.47) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917651 | 0.87 | NPC1 (0.46) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917886 | 0.87 | NR1H4 (0.45) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917885 | 0.80 | HTR2C (0.45) | NR1H4THRATHRBHDAC8HDAC6 | |
| SCHEMBL28917703 | 0.79 | NPC1 (0.45) | NR1H4THRATHRBHDAC8HDAC6 |
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-110229091-B | 1, 5-disubstituted indole derivatives with leukotriene A4 hydrolase inhibition effect and application thereof | 天津科技大学 | 2022-11-22 | — | — | CN | disclosed |