Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.46 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 6/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30136739 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| SCHEMBL896642 | 0.87 | ALDH1A1 (0.52) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| SCHEMBL29021371 | 0.79 | ALDH1A1 (0.60) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| 4-Cyanophenyl Phenylcarbamate SCHEMBL10393666 | 0.79 | ALDH1A1 (0.64) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| SCHEMBL27785451 | 0.77 | CHEK1 (0.45) | ALDH1A1GAAHTTSMN1; SMN2KMT2A | |
| SCHEMBL19382659 | 0.77 | KDM4E (0.65) | ALDH1A1HTTRAB9AKDM4E | |
| SCHEMBL31125084 | 0.76 | CHEK1 (0.59) | ALDH1A1MAPT | |
| SCHEMBL2589885 | 0.76 | CHEK1 (0.59) | ALDH1A1MAPT | |
| SCHEMBL28816677 | 0.76 | ALDH1A1 (0.52) | ALDH1A1GAAHTTSMN1; SMN2RAB9A | |
| SCHEMBL31126965 | 0.76 | ALDH1A1 (0.55) | ALDH1A1GAAHTTSMN1; SMN2RAB9A |
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-101663305-A | 2-amino-5, 7-dihydro-6H-pyrrolo [3, 4-D ] pyrimidine derivatives as HSP-90 inhibitors for the treatment of cancer | PFIZER | 2010-03-03 | — | — | CN | disclosed |