Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.67 |
| ▸ | LTA4H | P09960 | 1/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | LSS | P48449 | 1/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL432308 | 1.00 | CALM1 (0.67) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| Bromide SCHEMBL21658864 | 0.97 | CALM1 (0.63) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28806112 | 0.97 | CALM1 (0.63) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| SCHEMBL29452943 | 0.97 | CALM1 (0.63) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL6000295 | 0.97 | CALM1 (0.63) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| Diphenylmethane SCHEMBL27810624 | 0.89 | CALM1 (0.67) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| SCHEMBL27680608 | 0.89 | LTA4H (0.56) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| Selenium SCHEMBL10543351 | 0.89 | LTA4H (0.56) | CALM1LTA4HCYP11B1CYP11B2CYP3A4 | |
| SCHEMBL721736 | 0.88 | CYP17A1 (0.61) | CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL13873567 | 0.85 | CYP17A1 (0.65) | CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287956-B1 | Process for the preparation of 5-formylevalerianic acid esters or the corresponding acetals | BASF AG (DE) | 1993-11-24 | — | — | EP | disclosed |
| EP-0287956-A2 | Process for the preparation of 5-formylevalerianic acid esters or the corresponding acetals | BASF Aktiengesellschaft (DE) | 1988-10-26 | — | — | EP | disclosed |