Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7968245 | 1.00 | CA2 (0.46) | CA2F10TAAR1ALDH1A1NPSR1 | |
| SCHEMBL26510718 | 0.87 | CA2 (0.43) | CA2F10ALDH1A1NPSR1TMEM97 | |
| SCHEMBL17434412 | 0.86 | CA2 (0.42) | CA2F10ALDH1A1NPSR1TMEM97 | |
| SCHEMBL565818 | 0.85 | TMEM97 (0.48) | CA2F10TAAR1ALDH1A1NPSR1 | |
| SCHEMBL5606199 | 0.85 | TMEM97 (0.48) | CA2F10TAAR1ALDH1A1NPSR1 | |
| SCHEMBL2182755 | 0.85 | TMEM97 (0.48) | CA2F10TAAR1ALDH1A1NPSR1 | |
| SCHEMBL4612615 | 0.84 | CA2 (0.41) | CA2F10ALDH1A1NPSR1TMEM97 | |
| SCHEMBL1195175 | 0.84 | CA2 (0.41) | CA2F10ALDH1A1NPSR1TMEM97 | |
| SCHEMBL1195178 | 0.84 | CA2 (0.41) | CA2F10ALDH1A1NPSR1TMEM97 | |
| SCHEMBL7965886 | 0.83 | CA2 (0.40) | CA2F10ALDH1A1NPSR1TMEM97 |
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-6274715-B1 | SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY | ABBOTT LABORATORIES | 2001-08-14 | — | — | US | disclosed |