Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27732461 | 0.87 | THRB (0.46) | TSHRLMNACA1CA2CA9 | |
| Acetic Acid SCHEMBL9935253 | 0.85 | SMN1; SMN2 (0.44) | TSHRLMNACA1CA2CA9 | |
| Methoxymethane SCHEMBL632535 | 0.84 | CA2 (0.48) | TSHRLMNACA1CA2CA9 | |
| Bicarbonate SCHEMBL27714296 | 0.80 | CA2 (0.48) | TSHRLMNACA1CA2CA9 | |
| SCHEMBL15059320 | 0.79 | — | — | |
| SCHEMBL3440828 | 0.79 | ALDH1A1 (0.56) | TSHRLMNACA1CA2CA12 | |
| SCHEMBL49313 | 0.79 | — | — | |
| SCHEMBL29573828 | 0.79 | — | — | |
| Urea SCHEMBL8365790 | 0.78 | KDM4E (0.50) | TSHRLMNACA1CA2CA9 | |
| Fluoromethane SCHEMBL28294762 | 0.77 | ALDH1A1 (0.47) | TSHRLMNACA1CA2CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4820867-A | ANTIALLERGENS | MERCK FROSST CANADA, INC. (CA) | 1989-04-11 | — | — | US | disclosed |
| EP-0123541-B1 | LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1987-07-22 | — | — | EP | disclosed |
| EP-0123541-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1984-10-31 | — | — | EP | disclosed |