Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7654905 | 0.86 | LTA4H (0.51) | LTA4HHRH3NPC1RAB9AKCNH2 | |
| SCHEMBL7675738 | 0.82 | HRH3 (0.68) | LTA4HHRH3KCNH2CYP2D6HTR2A | |
| SCHEMBL7653222 | 0.81 | HRH3 (0.68) | LTA4HHRH3KCNH2CYP2D6HTR2A | |
| SCHEMBL7653368 | 0.81 | HRH3 (0.68) | LTA4HHRH3KCNH2CYP2D6HTR2A | |
| SCHEMBL7682850 | 0.79 | CA12 (0.70) | LTA4HHRH3NPC1RAB9AKCNH2 | |
| SCHEMBL7653972 | 0.76 | HRH3 (0.70) | HRH3KCNH2HRH1 | |
| SCHEMBL7007208 | 0.74 | CA12 (0.75) | LTA4HHRH3NPC1RAB9AKCNH2 | |
| SCHEMBL7503345 | 0.71 | ALDH1A1 (0.46) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL7656308 | 0.70 | HRH3 (0.69) | LTA4HHRH3KCNH2 | |
| SCHEMBL19874580 | 0.69 | CA12 (0.52) | HRH3KCNH2MEN1KMT2AL3MBTL1 |
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-6339092-B1 | FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS | ADIR ET COMPAGNIE (FR) | 2002-01-15 | — | — | US | disclosed |