Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | GRM6 | O15303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5982884 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL9545277 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL27492836 | 0.86 | BLM (0.44) | CYP1A2CYP2D6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL27492837 | 0.86 | BLM (0.44) | CYP1A2CYP2D6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4879215 | 0.83 | MAPT (0.43) | MAPTKMT2AALDH1A1ALOX15HSD17B10 | |
| SCHEMBL27726419 | 0.83 | PKM (0.46) | CYP1A2CYP2D6CYP2C19ALOX15 | |
| SCHEMBL7234332 | 0.83 | LMNA (0.49) | CYP1A2ALDH1A1TDP1GPR119 | |
| SCHEMBL5767 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL3353839 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL869695 | 0.81 | KCNN4 (0.60) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 |
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-118125950-A | Chiral alpha-amino acid derivative and preparation method and application thereof | 四川大学 | 2024-06-04 | — | — | CN | disclosed |
| CN-102711473-A | Bruton's tyrosine kinase inhibitors | BIOGEN IDEC INC | 2012-10-03 | — | — | CN | disclosed |