Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28326686 | 0.90 | TSHR (0.49) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL27522689 | 0.88 | TSHR (0.53) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL8555024 | 0.88 | MAPK1 (0.51) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL27503236 | 0.84 | VCAM1 (0.51) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL19280702 | 0.82 | TSHR (0.62) | ALDH1A1TSHRPOLBMEN1KMT2A | |
| SCHEMBL14956593 | 0.81 | ALDH1A1 (0.50) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL8067447 | 0.81 | TSHR (0.71) | ALDH1A1TSHRPOLBMEN1KMT2A | |
| SCHEMBL24635525 | 0.81 | MAPK1 (0.46) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL27381519 | 0.81 | TSHR (0.47) | MAPK1ALDH1A1TSHRPOLBCES2 | |
| SCHEMBL28328128 | 0.81 | MAPK1 (0.55) | MAPK1ALDH1A1TSHRPOLBCES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715620-A | AMINOPYRIMIDINES AS ALK INHIBITORS | 密歇根大学董事会 | 2019-05-03 | — | — | CN | disclosed |
| CN-106604997-A | Inhibitors of lysine specific demethylase-1 | 赛尔基因昆蒂赛尔研究公司 | 2017-04-26 | — | — | CN | disclosed |