Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 10/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28917648 | 0.99 | KDM4E (0.54) | KDM4EPOLBGAAMCHR1SMN1; SMN2 | |
| SCHEMBL28917652 | 0.88 | LTA4H (0.55) | KDM4EMCHR1SMN1; SMN2ALDH1A1LTA4H | |
| SCHEMBL28917888 | 0.87 | LTA4H (0.60) | KDM4EMCHR1SMN1; SMN2ALDH1A1LTA4H | |
| SCHEMBL28917640 | 0.87 | LTA4H (0.62) | KDM4EMCHR1SMN1; SMN2ALDH1A1LTA4H | |
| SCHEMBL28917626 | 0.87 | LTA4H (0.56) | MCHR1LTA4H | |
| SCHEMBL28917693 | 0.86 | LTA4H (0.61) | KDM4EMCHR1SMN1; SMN2ALDH1A1LTA4H | |
| SCHEMBL28917705 | 0.86 | LTA4H (0.59) | KDM4EMCHR1SMN1; SMN2ALDH1A1LTA4H | |
| SCHEMBL28917647 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2TDP1MEN1KMT2A | |
| SCHEMBL28917646 | 0.77 | SMN1; SMN2 (0.43) | SMN1; SMN2TDP1MEN1KMT2A | |
| SCHEMBL5350619 | 0.77 | ESR1 (0.58) | PTGS2 |
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 |