Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29184001 | 0.79 | G6PD (0.50) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6498907 | 0.76 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL7778429 | 0.74 | CYP3A4 (0.46) | ALDH1A1MAPTSMN1; SMN2KDM4ECYP3A4 | |
| SCHEMBL809394 | 0.74 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL27740365 | 0.74 | NR4A1 (0.47) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3667246 | 0.74 | TSHR (0.52) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6868591 | 0.72 | SMN1; SMN2 (0.43) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL2722648 | 0.71 | PPM1B (0.67) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL21409964 | 0.71 | FOLH1 (0.49) | ALDH1A1MAPTKDM4ETSHRTP53 | |
| SCHEMBL29721366 | 0.71 | FOLH1 (0.49) | ALDH1A1MAPTKDM4ETSHRTP53 |
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-113396145-A | PFKFB3 inhibitors and uses thereof | 盖罗发现有限责任公司 | 2021-09-14 | — | — | CN | disclosed |