Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8016097 | 0.83 | P2RX7 (0.52) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL5161602 | 0.83 | P2RX7 (0.45) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL4411674 | 0.79 | P2RX7 (0.49) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL3567261 | 0.79 | P2RX7 (0.45) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL5558104 | 0.79 | P2RX7 (0.47) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL13729034 | 0.78 | POLB (0.44) | P2RX7GRM4TBXA2RCYP1A2CYP3A4 | |
| SCHEMBL13827559 | 0.77 | P2RX7 (0.50) | P2RX7GRM4FAAHBRD4BRPF1 | |
| SCHEMBL5160643 | 0.76 | GSK3B (0.59) | ALDH1A1GSK3BLMNA | |
| SCHEMBL29587616 | 0.74 | — | — | |
| SCHEMBL37469 | 0.74 | — | — |
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 |