Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL28784881 | 0.93 | CA1 (0.76) | CA1CA9LMNAALDH1A1TP53 | |
| Butane SCHEMBL28137088 | 0.91 | CA1 (0.73) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL28864371 | 0.89 | CA1 (0.56) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL10420051 | 0.88 | — | — | |
| Butyrolactone SCHEMBL27720055 | 0.87 | CA1 (0.82) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL29433925 | 0.87 | — | — | |
| SCHEMBL19638361 | 0.87 | CA1 (0.82) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL9421121 | 0.87 | — | — | |
| Butyrolactone SCHEMBL1271043 | 0.87 | CA1 (0.82) | CA1CA9LMNAALDH1A1TP53 | |
| Butyrolactone SCHEMBL13481 | 0.87 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376882-B1 | HETEROATOM CONTAINING PERFLUOROALKYL TERMINATED NEOPENTYL ACIDS AND SALTS THEREOF | CIBA-GEIGY AG (CH) | 1993-08-11 | — | — | EP | disclosed |
| EP-0376882-A1 | Heteroatom containing perfluoroalkyl terminated neopentyl acids and salts thereof | CIBA-GEIGY AG (CH) | 1990-07-04 | — | — | EP | disclosed |
| WO-1988000581-A1 | PREPARATION OF CARBOXYPROPYLATED NON-IONIC SURFACTANTS | GAF CORPORATION (US) | 1988-01-28 | — | — | WO | disclosed |
| US-4720578-A | Preparation of fluorinated carboxypropylated non-ionic surfactants | GAF CORPORATION (US) | 1988-01-19 | — | — | US | disclosed |
| US-4692551-A | SALT FORMATION OF ALCOHOL ETHER WITH METAL HYDROXIDE, REACTING SALT WITH A BUTYROLACTONE | GAF CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |