Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26968613 | 0.71 | ADORA3 (0.49) | ADORA2AADORA1 | |
| SCHEMBL12747052 | 0.63 | METAP1 (0.44) | METAP1ADORA2AHSP90AA1ADORA1ALDH1A1 | |
| SCHEMBL38655985 | 0.63 | DHFR (0.51) | ADORA2AADORA1ALDH1A1HSD17B10 | |
| SCHEMBL7978430 | 0.63 | METAP1 (0.36) | METAP1 | |
| SCHEMBL28091993 | 0.62 | METAP1 (0.54) | METAP1ADORA2AHSP90AA1ADORA1ALDH1A1 | |
| SCHEMBL31027901 | 0.61 | METAP1 (0.49) | METAP1 | |
| SCHEMBL27774842 | 0.61 | CYP17A1 (0.36) | ALDH1A1TSHRNOS1HSD17B10 | |
| SCHEMBL4367711 | 0.61 | GAA (0.63) | METAP1ALDH1A1HSD17B10 | |
| SCHEMBL94773 | 0.61 | GDA (0.33) | ALDH1A1PDPK1 | |
| SCHEMBL63377 | 0.60 | METAP1 (0.43) | METAP1ADORA2AHSP90AA1ADORA1ALDH1A1 |
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-101505762-A | Orally active purinyl inhibitors of heat shock protein 90 | CONFORMA THERAPEUTICS CORP (US) | 2009-08-12 | — | — | CN | disclosed |