Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | KDM6B | O15054 | 1/20 | 0.54 |
| ▸ | KDM4A | O75164 | 1/20 | 0.54 |
| ▸ | KDM5C | P41229 | 1/20 | 0.54 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.54 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.54 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.54 |
| ▸ | HCAR3 | P49019 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11761567 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CASP6KDM4EKDM6BKDM4A | |
| SCHEMBL30978366 | 0.83 | CASP6 (0.57) | ALDH1A1CASP6HCAR3TSHRLMNA | |
| SCHEMBL11195885 | 0.80 | CASP6 (0.75) | CASP6HCAR3TSHRLMNA | |
| SCHEMBL11046684 | 0.80 | MEN1 (0.56) | ALDH1A1KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL31599140 | 0.80 | MEN1 (0.56) | ALDH1A1KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL99918 | 0.79 | CASP6 (0.64) | ALDH1A1CASP6HCAR3TSHRLMNA | |
| SCHEMBL22636651 | 0.78 | S100A4 (0.46) | ALDH1A1KDM4ELMNASMN1; SMN2POLB | |
| SCHEMBL29430825 | 0.78 | S100A4 (0.46) | ALDH1A1KDM4ELMNASMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL15156652 | 0.78 | MEN1 (0.55) | ALDH1A1KDM4ETSHRLMNASMN1; SMN2 | |
| SCHEMBL29226971 | 0.78 | TSHR (0.50) | ALDH1A1KDM4ETSHRLMNASMN1; SMN2 |
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-118164905-A | 2- (Pyridine-2-yl) aniline compound and synthesis method thereof | 南京大学 | 2024-06-11 | — | — | CN | disclosed |