Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.46 |
| ▸ | SORD | Q00796 | 1/20 | 0.46 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2985971 | 0.78 | CA12 (0.50) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL21648244 | 0.78 | CA12 (0.74) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL3018453 | 0.78 | CA12 (0.65) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL4077549 | 0.78 | CA12 (0.65) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL3761590 | 0.76 | NOD2 (0.62) | CA9CA12MAOBNOD2LMNA | |
| SCHEMBL3761535 | 0.76 | ALDH1A1 (0.56) | CA9CA12NOD2LMNAKDM4E | |
| SCHEMBL9845372 | 0.76 | GABRP (0.58) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL4077626 | 0.76 | CA12 (0.48) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL4075975 | 0.75 | ALOX5 (0.53) | CA9CA12AKR1B1MAOBALDH2 | |
| SCHEMBL13691929 | 0.75 | NOD2 (0.67) | CA9CA12MAOBNOD2LMNA |
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-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |