Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 12/20 | 0.53 |
| ▸ | CA2 | P00918 | 12/20 | 0.53 |
| ▸ | CA9 | Q16790 | 11/20 | 0.53 |
| ▸ | CA12 | O43570 | 9/20 | 0.53 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7376200 | 0.98 | CA1 (0.55) | CA1CA2CA9CA12CA13 | |
| SCHEMBL7371669 | 0.79 | KDM4E (0.40) | CA1CA2CA9CA12CA6 | |
| SCHEMBL29401113 | 0.79 | ALDH1A1 (0.43) | CA1CA2CA9CA12KDM4E | |
| SCHEMBL6952240 | 0.79 | TRPV4 (0.41) | CA1CA2CA9CA12MAOA | |
| SCHEMBL8724528 | 0.79 | ALDH1A1 (0.48) | CA1CA2CA9CA12CA13 | |
| Hydrochloric Acid SCHEMBL29291617 | 0.78 | KDM4E (0.39) | CA1CA2CA9CA12CA6 | |
| SCHEMBL17168934 | 0.76 | ALDH1A1 (0.41) | KDM4EALDH1A1L3MBTL1HTT | |
| SCHEMBL8654428 | 0.76 | PTGS2 (0.55) | CA1CA2CA9CA12CA13 | |
| SCHEMBL8974661 | 0.76 | CA1 (0.45) | CA1CA2CA9CA12CA13 | |
| SCHEMBL9115418 | 0.73 | CA1 (0.42) | CA1CA2CA9CA12CA13 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5852195-A | Pyranone compounds useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1998-12-22 | — | — | US | disclosed |