Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA9 | Q16790 | 8/20 | 0.46 |
| ▸ | CA1 | P00915 | 7/20 | 0.46 |
| ▸ | CA12 | O43570 | 7/20 | 0.45 |
| ▸ | CA6 | P23280 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 3/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27895889 | 0.88 | CA2 (0.52) | CA2CA9CA1CA12CA6 | |
| SCHEMBL4142033 | 0.86 | CASP1 (0.49) | CASP1CA2CA9CA1CA12 | |
| SCHEMBL28134095 | 0.85 | MAOB (0.49) | CA2CA9CA1CA12CA6 | |
| SCHEMBL5683284 | 0.83 | CASP1 (0.47) | CASP1CA2CA9CA1CA12 | |
| Benzene SCHEMBL28180960 | 0.81 | CA2 (0.54) | CA2CA9CA1CA12CA6 | |
| SCHEMBL8976123 | 0.81 | CA2 (0.52) | CA2CA9CA1CA12CA6 | |
| SCHEMBL4610078 | 0.81 | STAT3 (0.41) | CASP1CA2CA9CA1CA12 | |
| SCHEMBL2964281 | 0.81 | CA2 (0.61) | CA2CA9CA1CA12CA6 | |
| SCHEMBL6428040 | 0.80 | CA2 (0.44) | CA2CA9CA1CA12CA6 | |
| Hydrochloric Acid SCHEMBL5808141 | 0.79 | CA1 (0.51) | CA2CA9CA1CA12CA6 |
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-1879877-B1 | ANTIMICROBIAL AGENTS | RANBAXY LAB LTD (IN) | 2013-01-02 | — | — | EP | claimed |
| CN-110366556-B | Antibacterial peptide macrocyclic compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-108350028-B | Peptide macrocycles against Acinetobacter baumannii | 豪夫迈·罗氏有限公司 | 2021-12-07 | — | — | CN | disclosed |
| EP-1879877-A2 | ANTIMICROBIAL AGENTS | Ranbaxy Laboratories Limited (IN) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006117762-A2 | ANTIMICROBIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | disclosed |