Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 8/20 | 0.50 |
| ▸ | IAPP | P10997 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170786 | 1.00 | GLA (0.56) | GLATDP1PARP1IAPPPTGS1 | |
| SCHEMBL1405148 | 0.84 | GLA (0.63) | GLATDP1IAPPPTGS1HDAC3 | |
| SCHEMBL1405149 | 0.84 | GLA (0.63) | GLATDP1IAPPPTGS1HDAC3 | |
| SCHEMBL6170653 | 0.84 | NPSR1 (0.64) | GLATDP1PARP1HDAC3HDAC1 | |
| SCHEMBL6170656 | 0.84 | NPSR1 (0.64) | GLATDP1PARP1HDAC3HDAC1 | |
| SCHEMBL14441060 | 0.83 | GLA (0.72) | GLATDP1IAPPPTGS1HDAC3 | |
| SCHEMBL7615559 | 0.82 | PARP1 (0.53) | TDP1PARP1HDAC3HDAC1PARP10 | |
| SCHEMBL6171570 | 0.82 | PARP1 (0.59) | PARP1HDAC3HDAC1P4HBPARP10 | |
| SCHEMBL6171568 | 0.82 | PARP1 (0.59) | PARP1HDAC3HDAC1P4HBPARP10 | |
| SCHEMBL6168348 | 0.81 | CYP1B1 (0.68) | TDP1HDAC3HDAC1P4HB |
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-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |