Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5772033 | 0.89 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL8478378 | 0.87 | ALDH1A1 (0.50) | CA1CA2CA9CA12CA7 | |
| SCHEMBL8478375 | 0.87 | ALDH1A1 (0.50) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1962306 | 0.86 | ALDH1A1 (0.49) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1424324 | 0.86 | ALDH1A1 (0.53) | CA1CA2CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL1962304 | 0.84 | ALDH1A1 (0.47) | CA1CA2CA9CA12CA7 | |
| SCHEMBL1666445 | 0.84 | CA1 (0.64) | CA1CA2CA9CA12CA7 | |
| SCHEMBL70322 | 0.82 | ALDH1A1 (0.66) | CA1CA2CA9ALDH1A1LMNA | |
| SCHEMBL3689460 | 0.82 | KDM4E (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL2383105 | 0.82 | BDKRB1 (0.51) | CA1CA2CA9CA12CA7 |
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-2139463-A2 | ANTI-INFECTIVE AGENTS | Technische Universität Carolo-Wilhelmina zu Braunschweig (DE) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008113557-A2 | ANTI-INFECTIVE AGENTS | Technische Universität Carolo Wilhelmina Zu Braunschweig (DE) | 2008-09-25 | — | — | WO | disclosed |