Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL16191097 | 0.84 | TAAR1 (0.47) | NPC1ATM | |
| SCHEMBL27969237 | 0.79 | METAP2 (0.42) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL22868100 | 0.77 | METAP2 (0.47) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL10021113 | 0.77 | METAP2 (0.47) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL8038720 | 0.76 | SLC6A2 (0.46) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL22867975 | 0.75 | METAP2 (0.45) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL3989199 | 0.74 | ADRA2A (0.48) | MEN1KMT2ASLC6A2SLC6A3CHRNA7 | |
| SCHEMBL12678622 | 0.74 | LMNA (0.45) | MEN1KMT2ANPC1RAB9AKEAP1 | |
| SCHEMBL31388243 | 0.72 | PDE4A (0.39) | METAP2METAP1HSD17B1HSD17B2MEN1 | |
| SCHEMBL465371 | 0.72 | GBA1 (0.41) | SLC6A2SLC6A4SLC6A3 |
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-104974001-A | Method for synthesizing beta-branched chain alpha-amino ester | CHINESE ACAD INST CHEMISTRY | 2015-10-14 | — | — | CN | disclosed |