Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10882523 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| SCHEMBL10883490 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| SCHEMBL6014752 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| Potassium Ion SCHEMBL11251000 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| Silver SCHEMBL6737624 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| SCHEMBL6737630 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| SCHEMBL8596098 | 0.95 | CA1 (0.61) | CA1BBOX1GPR84CA2FFAR3 | |
| Water SCHEMBL14109082 | 0.93 | CA1 (0.58) | CA1BBOX1GPR84CA2FFAR3 | |
| Silver SCHEMBL11470797 | 0.81 | CA1 (0.59) | CA1BBOX1GPR84CA2FFAR3 | |
| SCHEMBL11470799 | 0.81 | CA1 (0.59) | CA1BBOX1GPR84CA2FFAR3 |
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-0613882-B1 | Process for the preparation of 5-cyanovaleric acid ester | BASF AG (DE) | 1997-01-08 | — | — | EP | disclosed |
| EP-0613882-A1 | Process for the preparation of 5-cyanovaleric acid ester | BASF Aktiengesellschaft (DE) | 1994-09-07 | — | — | EP | disclosed |