Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 3/20 | 0.32 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DHPS | P49366 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL12872090 | 1.00 | ACKR3 (0.32) | ACKR3IDH1PARP1THRBKCNH2 | |
| SCHEMBL12872089 | 1.00 | ACKR3 (0.32) | ACKR3IDH1PARP1THRBKCNH2 | |
| SCHEMBL1178007 | 1.00 | ACKR3 (0.32) | ACKR3IDH1PARP1THRBKCNH2 | |
| SCHEMBL3690993 | 0.91 | PTGES (0.36) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL3705356 | 0.91 | PTGES (0.36) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL1177941 | 0.91 | PTGES (0.36) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL7602084 | 0.89 | IDH1 (0.34) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL1178564 | 0.88 | THRB (0.32) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL1178285 | 0.88 | THRB (0.32) | ACKR3IDH1PARP1THRBGRM1 | |
| SCHEMBL12872088 | 0.88 | THRB (0.32) | ACKR3IDH1PARP1THRBGRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009127338-A1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-22 | — | — | WO | disclosed |