Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.35 |
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) | ALDH1A1TSHRLMNAMAPTMEN1 | |
| SCHEMBL28293143 | 0.73 | SLC1A3 (0.31) | MEN1KMT2A | |
| SCHEMBL28293129 | 0.73 | HTT (0.37) | ALDH1A1TSHRLMNAMAPTCYP2C19 | |
| SCHEMBL28293121 | 0.70 | CYP11B1 (0.34) | ALDH1A1LMNAMEN1KMT2AKDM4E | |
| SCHEMBL28293137 | 0.69 | BRD4 (0.33) | — | |
| SCHEMBL27978505 | 0.69 | ACHE (0.40) | ALDH1A1TSHRMAPTMEN1POLB | |
| SCHEMBL28293105 | 0.68 | TAAR1 (0.35) | ALDH1A1LMNAMAPTMEN1POLB | |
| SCHEMBL27666909 | 0.67 | — | — | |
| SCHEMBL28043766 | 0.65 | — | — | |
| SCHEMBL27698999 | 0.65 | ALDH1A1 (0.36) | ALDH1A1TSHRLMNAMAPK1MAPT |
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 |