Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 1/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19906310 | 0.93 | NPC1 (0.36) | NPC1RAB9ASMN1; SMN2TP53PTGDR2 | |
| SCHEMBL19906197 | 0.87 | PTGDR2 (0.36) | NPC1RAB9ASMN1; SMN2TP53PTGDR2 | |
| SCHEMBL19906233 | 0.85 | PTGDR2 (0.34) | PTGDR2KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL19905890 | 0.84 | PTGDR2 (0.42) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E | |
| SCHEMBL19905939 | 0.84 | PTGDR2 (0.35) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E | |
| SCHEMBL19906180 | 0.84 | PTGDR2 (0.41) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E | |
| SCHEMBL19905778 | 0.83 | KDM4E (0.39) | NPC1RAB9ASMN1; SMN2TP53PTGDR2 | |
| SCHEMBL19905952 | 0.83 | PTGDR2 (0.42) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E | |
| SCHEMBL19906165 | 0.83 | KDM4E (0.40) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E | |
| SCHEMBL19905960 | 0.83 | KDM4E (0.42) | NPC1RAB9ASMN1; SMN2PTGDR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3070081-B1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES INC (US) | 2018-02-28 | — | — | EP | disclosed |