Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.52 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | DDO | Q99489 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL1173565 | 0.80 | HCAR2 (0.52) | HCAR2BCAT2ARALDH1A1KDM4E | |
| SCHEMBL5160515 | 0.80 | HCAR2 (0.48) | HCAR2BCAT2CTSLLMNAITGAV | |
| SCHEMBL82140 | 0.77 | ALDH1A1 (0.58) | HCAR2LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL6251854 | 0.77 | HCAR2 (0.48) | HCAR2BCAT2CTSLARALDH1A1 | |
| SCHEMBL20970390 | 0.77 | HCAR2 (0.48) | HCAR2BCAT2CTSLAR | |
| SCHEMBL5158500 | 0.76 | HCAR2 (0.48) | HCAR2BCAT2CTSLITGAVALDH1A1 | |
| SCHEMBL11529854 | 0.76 | CYP2C9 (0.42) | HCAR2LMNAALDH1A1KDM4EKMT2A | |
| SCHEMBL14764623 | 0.76 | POLB (0.59) | HCAR2LMNAALDH1A1KDM4EKMT2A | |
| SCHEMBL3844697 | 0.75 | NAPRT (0.52) | LMNAALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL13827952 | 0.73 | HCAR2 (0.45) | HCAR2BCAT2LMNAALDH1A1KMT2A |
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 |