Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GBA1 | P04062 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14503143 | 0.94 | PTGS2 (0.56) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14503227 | 0.94 | PTGS2 (0.56) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14503676 | 0.92 | PTGS2 (0.52) | ALDH1A1PTGS2MEN1KMT2AGBA1 | |
| SCHEMBL14503585 | 0.90 | CA12 (0.46) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL5376376 | 0.88 | CA12 (0.39) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14428054 | 0.88 | CA12 (0.39) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14503697 | 0.87 | CA12 (0.49) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14503582 | 0.87 | PTGS2 (0.51) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL14503666 | 0.86 | CA12 (0.49) | ALDH1A1PTGS2CA12CA1CA2 | |
| SCHEMBL14503407 | 0.86 | MEN1 (0.52) | ALDH1A1PTGS2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |