Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971840 | 1.00 | CA1 (0.58) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL26986088 | 0.83 | CA1 (0.61) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL1194330 | 0.81 | CA1 (0.73) | CA1CA2IDO1AGXTCYP2C9 | |
| SCHEMBL1194332 | 0.81 | CA1 (0.73) | CA1CA2IDO1AGXTCYP2C9 | |
| SCHEMBL18843235 | 0.81 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL14538696 | 0.81 | CA1 (0.73) | CA1CA2IDO1AGXTCYP2C9 | |
| SCHEMBL13764949 | 0.81 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL3553296 | 0.81 | CA1 (0.59) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL12697374 | 0.81 | SLC6A4 (0.61) | CA1CA2IDO1AGXTSLC6A4 | |
| SCHEMBL12474868 | 0.81 | SLC6A4 (0.61) | CA1CA2IDO1AGXTSLC6A4 |
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 |