Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 5/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19252752 | 0.84 | KMT2A (0.31) | MAPT | |
| SCHEMBL22752635 | 0.80 | DHFR (0.35) | PKMRAB9AKDM4ENPC1DHFR | |
| SCHEMBL19251052 | 0.80 | DHFR (0.35) | PKMRAB9AKDM4ENPC1DHFR | |
| SCHEMBL19252971 | 0.80 | DHFR (0.35) | PKMRAB9AKDM4ENPC1DHFR | |
| SCHEMBL22778534 | 0.80 | DHFR (0.35) | PKMRAB9AKDM4ENPC1DHFR | |
| SCHEMBL22752627 | 0.79 | S1PR4 (0.32) | MAPT | |
| SCHEMBL19251152 | 0.79 | CYP2D6 (0.32) | — | |
| SCHEMBL19251317 | 0.78 | S1PR1 (0.33) | — | |
| SCHEMBL15601113 | 0.74 | RAB9A (0.53) | PKMRAB9AKDM4ENPC1DHFR | |
| SCHEMBL12458486 | 0.73 | NUDT1 (0.36) | RAB9AKDM4ENUDT1LMNAMAPT |
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-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |