Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 3/20 | 0.50 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.50 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4418236 | 0.87 | CA1 (0.59) | CA1CA2ALDH1A1POLBHPGD | |
| SCHEMBL10078294 | 0.85 | LOXL2 (0.63) | SAE1UBA2CA1CA2CA12 | |
| SCHEMBL5992317 | 0.85 | LOXL2 (0.63) | SAE1UBA2CA1CA2CA12 | |
| SCHEMBL15376997 | 0.84 | CA1 (0.69) | VNN1CA1CA2CA12CA7 | |
| SCHEMBL9396971 | 0.82 | FFAR1 (0.60) | VNN1 | |
| SCHEMBL20764583 | 0.81 | EPHX2 (0.72) | EPHX2HDAC6HDAC1KMT2ANAMPT | |
| SCHEMBL6799273 | 0.80 | GAA (0.61) | SAE1UBA2CA1CA2CA12 | |
| SCHEMBL11246349 | 0.80 | CA1 (0.69) | CA1CA2CA12CA7ALDH1A1 | |
| SCHEMBL17296519 | 0.80 | CA1 (0.58) | CA1CA2ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL1446643 | 0.80 | CA1 (0.70) | CA1CA2CA12ALDH1A1POLB |
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-3672937-A1 | NOVEL CYSTOBACTAMIDE DERIVATIVES | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019038405-A1 | NOVEL CYSTOBACTAMIDE DERIVATIVES | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2019-02-28 | — | — | WO | disclosed |