Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19782545 | 1.00 | KMT2A (0.40) | KMT2AALDH1A1HSD17B10KDM4ELMNA | |
| SCHEMBL19783467 | 0.86 | CYP1A2 (0.41) | KMT2AALDH1A1HSD17B10KDM4ELMNA | |
| SCHEMBL19783059 | 0.84 | HSD17B10 (0.37) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL23462902 | 0.84 | HSD17B10 (0.55) | ALDH1A1HSD17B10LMNAMAPTIKBKB | |
| SCHEMBL30189754 | 0.84 | HSD17B10 (0.37) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL10970771 | 0.84 | KMT2A (0.57) | KMT2AALDH1A1HSD17B10KDM4ELMNA | |
| SCHEMBL11102832 | 0.81 | LMNA (0.43) | KMT2AHSD17B10LMNAMAPTIKBKB | |
| SCHEMBL19782466 | 0.79 | ALDH1A1 (0.46) | KMT2AALDH1A1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL30189852 | 0.79 | ALDH1A1 (0.46) | KMT2AALDH1A1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL30189761 | 0.74 | CA12 (0.44) | — |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |