Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GGT1 | P19440 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL248688 | 1.00 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| Benzene SCHEMBL3150461 | 0.98 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| Naphthalene SCHEMBL3155078 | 0.95 | PTGS2 (0.47) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL4328045 | 0.89 | HSD17B10 (0.65) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL609102 | 0.84 | CXCL8 (0.40) | KDM4EHSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL11589528 | 0.84 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL68677 | 0.84 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL30850062 | 0.84 | PTGS2 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL10924111 | 0.82 | PTGS2 (0.53) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL3628841 | 0.82 | PTGS2 (0.53) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 |
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-118556043-A | Treatment of signs, symptoms and/or complications of viral, bacterial, protozoal and/or fungal infections by highly penetrating prodrugs | 苏州泰飞尔医药有限公司 | 2024-08-27 | — | — | CN | disclosed |