Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 12/20 | 0.45 |
| ▸ | TOP2B | Q02880 | 10/20 | 0.45 |
| ▸ | TOP1 | P11387 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30626258 | 1.00 | CYP3A4 (0.78) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| SCHEMBL29080648 | 1.00 | CYP3A4 (0.78) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| SCHEMBL30626293 | 1.00 | CYP3A4 (0.78) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| Delafloxacin SCHEMBL294694 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| Delafloxacin SCHEMBL29379152 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| Delafloxacin SCHEMBL29356726 | 0.93 | CYP3A4 (0.86) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| Delafloxacin SCHEMBL29631821 | 0.92 | CYP3A4 (0.85) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| Delafloxacin SCHEMBL441203 | 0.92 | CYP3A4 (0.85) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| SCHEMBL7858379 | 0.92 | CYP3A4 (0.87) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 | |
| SCHEMBL30626295 | 0.91 | CYP3A4 (0.65) | CYP3A4CYP2C9ALDH1A1POLBCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116606279-A | Fluoroquinolone compound and preparation method and application thereof | 广东工业大学 | 2023-08-18 | — | — | CN | disclosed |