Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 3/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7602084 | 0.90 | IDH1 (0.34) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL1177941 | 0.84 | PTGES (0.36) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL3705356 | 0.84 | PTGES (0.36) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL3690993 | 0.84 | PTGES (0.36) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL13660754 | 0.80 | ACKR3 (0.32) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL12872089 | 0.80 | ACKR3 (0.32) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL1178007 | 0.80 | ACKR3 (0.32) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL12872090 | 0.80 | ACKR3 (0.32) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL7601121 | 0.79 | PARP1 (0.35) | IDH1PARP1DHPSACKR3THRB | |
| SCHEMBL7604016 | 0.79 | PARP1 (0.35) | IDH1PARP1DHPSACKR3THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |