Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725862 | 0.86 | MAPT (0.49) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL8325875 | 0.79 | NQO1 (0.70) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL6414564 | 0.75 | ALDH1A1 (0.55) | MAPTKMT2AMEN1LMNATDP1 | |
| SCHEMBL3735038 | 0.73 | NQO1 (0.50) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL15009704 | 0.70 | LTA4H (0.58) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL9062221 | 0.70 | SMN1; SMN2 (0.51) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL8721612 | 0.70 | BRAF (0.38) | MAPTKMT2AMEN1LMNATDP1 | |
| SCHEMBL3440767 | 0.69 | MAPT (0.63) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL9479637 | 0.69 | MAPT (0.63) | NQO1LTA4HMAPTKMT2AMEN1 | |
| SCHEMBL7785326 | 0.68 | NQO1 (0.47) | NQO1LTA4HMAPTKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |