Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 3/20 | 0.58 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | MMP1 | P03956 | 7/20 | 0.53 |
| ▸ | MMP2 | P08253 | 7/20 | 0.53 |
| ▸ | MMP9 | P14780 | 7/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8064168 | 1.00 | GAA (0.59) | GAAEGFRTRPM2TRPA1NPC1 | |
| SCHEMBL8060347 | 0.91 | GAA (0.61) | GAAEGFRTRPM2TRPA1NPC1 | |
| SCHEMBL8060344 | 0.91 | GAA (0.61) | GAAEGFRTRPM2TRPA1NPC1 | |
| SCHEMBL8059594 | 0.90 | MEN1 (0.67) | EGFRTRPM2TRPA1NPC1RAB9A | |
| SCHEMBL8059593 | 0.90 | MEN1 (0.67) | EGFRTRPM2TRPA1NPC1RAB9A | |
| SCHEMBL8060454 | 0.87 | EGFR (0.75) | GAAEGFRTRPM2TRPA1NPC1 | |
| SCHEMBL8060457 | 0.87 | EGFR (0.75) | GAAEGFRTRPM2TRPA1NPC1 | |
| SCHEMBL8065974 | 0.86 | TRPA1 (0.68) | EGFRTRPM2TRPA1NPC1RAB9A | |
| SCHEMBL8065971 | 0.86 | TRPA1 (0.68) | EGFRTRPM2TRPA1NPC1RAB9A | |
| SCHEMBL417073 | 0.86 | EGFR (0.62) | EGFRTRPM2TRPA1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6127392-A | A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |
| US-6046239-A | USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-04-04 | — | — | US | disclosed |