Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4647 | 0.88 | — | — | |
| SCHEMBL29376605 | 0.88 | — | — | |
| Water SCHEMBL13835615 | 0.86 | ENPP2 (0.46) | CA4CA6CA5ACA7ENPP2 | |
| Hydrochloric Acid SCHEMBL7002225 | 0.86 | ENPP2 (0.46) | CA4CA6CA5ACA7ENPP2 | |
| SCHEMBL28265047 | 0.86 | ENPP2 (0.46) | CA4CA6CA5ACA7ENPP2 | |
| Boric Acid SCHEMBL27743883 | 0.86 | ALDH1A1 (0.44) | TSHRNAPRTCYP1A2ALDH1A1CYP3A4 | |
| Phenylboronic Acid SCHEMBL1668705 | 0.82 | CA4 (0.61) | CA1CA2CA4CA6CA5A | |
| SCHEMBL28612539 | 0.82 | MGLL (0.46) | CA1CA2CA4CA6CA5A | |
| SCHEMBL1617465 | 0.82 | ENPP2 (0.42) | CA4CA6CA5ACA7ENPP2 | |
| SCHEMBL29520025 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1807439-A2 | KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | Ranbaxy Laboratories Limited (IN) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006046112-A2 | KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-05-04 | — | — | WO | disclosed |