Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
| ▸ | FNTA | P49354 | 2/20 | 0.40 |
| ▸ | FNTB | P49356 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406465 | 0.92 | ADRB2 (0.41) | NPY5RCTSBCAPN1CASP1HTT | |
| SCHEMBL7408148 | 0.86 | MMP3 (0.44) | CTSBCASP1MMP2MMP3MMP9 | |
| SCHEMBL7411157 | 0.86 | CASP1 (0.45) | CTSBPOLBCASP1FNTAFNTB | |
| SCHEMBL7452753 | 0.84 | MMP3 (0.47) | CTSBCASP1MMP1MMP2MMP3 | |
| SCHEMBL7412858 | 0.84 | CASP1 (0.40) | CTSBCASP1MMP3 | |
| SCHEMBL7404374 | 0.84 | CASP1 (0.40) | NPY5RCTSBPOLBCASP1CTSK | |
| SCHEMBL7414049 | 0.84 | CASP1 (0.40) | CTSBCASP1CTSKMEN1KMT2A | |
| SCHEMBL7411854 | 0.82 | CASP1 (0.42) | CTSBPOLBCASP1ALDH1A1MITF | |
| SCHEMBL7411938 | 0.81 | ALDH1A1 (0.41) | NPY5RCTSBPOLBCASP1MAPT | |
| SCHEMBL7410711 | 0.81 | MMP8 (0.46) | CTSBCASP1L3MBTL1FFAR1MMP2 |
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-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |