Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14401989 | 0.81 | KMT2A (0.51) | CYP3A4KDM4EALDH1A1PTGS2LMNA | |
| SCHEMBL5936619 | 0.81 | KMT2A (0.51) | CYP3A4KDM4EALDH1A1PTGS2LMNA | |
| Hydrochloric Acid SCHEMBL4969339 | 0.80 | KMT2A (0.50) | CYP3A4KDM4EALDH1A1PTGS2LMNA | |
| Hydrochloric Acid SCHEMBL4969343 | 0.80 | KMT2A (0.50) | CYP3A4KDM4EALDH1A1PTGS2LMNA | |
| SCHEMBL14691129 | 0.79 | NPC1 (0.44) | KDM4EALDH1A1LMNASMN1; SMN2ADRB2 | |
| SCHEMBL19763136 | 0.79 | CA1 (0.53) | CYP1A2ALDH1A1LMNASMN1; SMN2TP53 | |
| Hydrochloric Acid SCHEMBL14691126 | 0.77 | NPC1 (0.42) | KDM4EALDH1A1LMNASMN1; SMN2ADRB2 | |
| SCHEMBL28624819 | 0.77 | NAPRT (0.52) | CYP1A2CYP3A4CYP2C19KDM4EMPO | |
| SCHEMBL17948735 | 0.76 | PLK1 (0.47) | KDM4EALDH1A1MAOALMNASMN1; SMN2 | |
| SCHEMBL19762729 | 0.76 | ALDH1A1 (0.48) | KDM4EALDH1A1LMNASMN1; SMN2TP53 |
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-107827815-B | Fluoroquinolone amino derivatives and application thereof in preventing and treating citrus diseases | 西南大学 | 2021-08-03 | — | — | CN | disclosed |