Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PTPRA | P18433 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13820572 | 0.79 | P2RX7 (0.43) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL5162478 | 0.79 | P2RX7 (0.36) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL18622309 | 0.78 | CYP1A2 (0.42) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL18622312 | 0.78 | CYP2C19 (0.41) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL15936878 | 0.77 | P2RX7 (0.41) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL5160643 | 0.76 | GSK3B (0.59) | POLBLMNANAPRTP4HTML3MBTL1 | |
| SCHEMBL15936872 | 0.76 | GSK3B (0.44) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL5162794 | 0.75 | P2RX7 (0.41) | P2RX7CTNNB1WNT3ACYP1A2PTPRA | |
| SCHEMBL24663483 | 0.72 | P2RX7 (0.42) | P2RX7POLBCTNNB1WNT3ACYP1A2 | |
| SCHEMBL28393062 | 0.72 | P2RX7 (0.42) | P2RX7POLBCTNNB1WNT3ACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |