Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| Dihydrophenanthrene SCHEMBL29404495 | 0.97 | CES1 (0.68) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.97 | CES1 (0.68) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| Dihydrophenanthrene SCHEMBL155991 | 0.97 | CES1 (0.68) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| Dihydrophenanthrene SCHEMBL28858771 | 0.93 | CES1 (0.65) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| Dihydrophenanthrene SCHEMBL28876918 | 0.93 | CES1 (0.65) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| SCHEMBL30436120 | 0.88 | TSHR (0.67) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| SCHEMBL30436320 | 0.88 | CYP2A6 (0.65) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| SCHEMBL9652088 | 0.88 | CYP2A6 (0.65) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| Dihydrophenanthrene SCHEMBL30082507 | 0.85 | CES1 (0.56) | CES1MAOAMAOBSRD5A1SRD5A2 | |
| SCHEMBL4818156 | 0.85 | CES1 (0.56) | CES1MAOAMAOBSRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078127-A1 | MACROCYCLIC SULFONAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 中国药科大学 | 2023-05-11 | — | — | WO | disclosed |