Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | FKBP4 | Q02790 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11214841 | 1.00 | CA1 (0.48) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL11215302 | 1.00 | CA1 (0.48) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL9066725 | 0.87 | CA1 (0.57) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL7051325 | 0.87 | CA1 (0.57) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL28707537 | 0.86 | CA1 (0.43) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL28581189 | 0.86 | CA1 (0.43) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL28701342 | 0.86 | CA1 (0.43) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL7947488 | 0.86 | CA1 (0.43) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL7049346 | 0.85 | CA1 (0.59) | CA1CA9KMT2ACA2CA4 | |
| SCHEMBL24090327 | 0.85 | CA1 (0.64) | CA1CA9KMT2ACA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0023612-B1 | MACROCYCLIC DIESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ODOROUS COMPOSITIONS | HAARMANN & REIMER GMBH (DE) | 1983-06-15 | — | — | EP | disclosed |
| US-4251448-A | ODORANTS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-17 | — | — | US | disclosed |
| EP-0023612-A1 | Macrocyclic diesters, process for their preparation and their use as odorous compositions | HAARMANN & REIMER GMBH (DE) | 1981-02-11 | — | — | EP | disclosed |