Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30672032 | 0.75 | ALDH1A1 (0.40) | TSHRKDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL28291573 | 0.73 | ALDH1A1 (0.40) | TSHRKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL28293105 | 0.73 | TAAR1 (0.35) | ALDH1A1TAAR1HSD17B10MAPTMEN1 | |
| SCHEMBL28293121 | 0.73 | CYP11B1 (0.34) | HTTKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL28293143 | 0.71 | SLC1A3 (0.31) | MEN1KMT2A | |
| SCHEMBL27978505 | 0.69 | ACHE (0.40) | HTTTSHRALDH1A1MAPTMEN1 | |
| SCHEMBL28293137 | 0.69 | BRD4 (0.33) | — | |
| SCHEMBL27666909 | 0.67 | — | — | |
| SCHEMBL28043766 | 0.65 | — | — | |
| SCHEMBL28291576 | 0.64 | ALDH1A1 (0.30) | ALDH1A1 |
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-105324117-B | Polysubstituted aromatic compounds as serine protease inhibitors | 维颂公司 | 2019-04-09 | — | — | CN | claimed |