Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.42 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.42 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.42 |
| ▸ | CACNG1 | Q06432 | 1/20 | 0.42 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.42 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | CACNA1E | Q15878 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28917886 | 0.99 | NR1H4 (0.45) | NR1H4TP53MAPTCACNB4CACNA1A | |
| SCHEMBL28961411 | 0.91 | SMN1; SMN2 (0.44) | NR1H4TP53MAPTTHRATHRB | |
| SCHEMBL28917623 | 0.91 | NPC1 (0.46) | NR1H4TP53THRATHRBHTR2C | |
| SCHEMBL28917651 | 0.89 | NPC1 (0.46) | NR1H4THRATHRBHTR2CMEN1 | |
| SCHEMBL28917692 | 0.89 | LMNA (0.47) | NR1H4TP53MAPTHRH3THRA | |
| SCHEMBL28917646 | 0.88 | SMN1; SMN2 (0.43) | NR1H4THRATHRBHTR2AHTR2C | |
| SCHEMBL28917636 | 0.88 | LMNA (0.47) | NR1H4TP53MAPTHRH3THRA | |
| SCHEMBL28917647 | 0.87 | SMN1; SMN2 (0.41) | NR1H4THRATHRBHTR2AHTR2C | |
| SCHEMBL28917703 | 0.81 | NPC1 (0.45) | NR1H4THRATHRBHTR2CLMNA | |
| SCHEMBL28917885 | 0.80 | HTR2C (0.45) | NR1H4TP53MAPTMAOBHRH3 |
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 |