Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14591807 | 0.87 | TP53 (0.50) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL14626722 | 0.86 | KDR (0.54) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL14627052 | 0.86 | ATM (0.44) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL14626711 | 0.83 | CASP3 (0.61) | MAPTNPC1RAB9AKDM4ECASP3 | |
| SCHEMBL14627049 | 0.78 | ITGB1 (0.55) | NPC1RAB9AKDM4EALDH1A1TSHR | |
| SCHEMBL9197515 | 0.77 | ESR1 (0.68) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL22686244 | 0.77 | HSD17B10 (0.64) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL14626645 | 0.76 | KDM4E (0.66) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL28636530 | 0.74 | RAB9A (0.78) | TP53MAPTNPC1RAB9AKDM4E | |
| SCHEMBL2434406 | 0.74 | ESR1 (0.63) | TP53MAPTNPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7157487-B2 | Vla-4 inhibitors | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-01-02 | — | — | US | disclosed |