Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19403028 | 0.80 | TAAR1 (0.41) | TAAR1CYP1A2CYP2A6PTGS1PTGS2 | |
| SCHEMBL19186557 | 0.78 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2A6PTGS1PTGS2 | |
| SCHEMBL18625313 | 0.78 | CYP1A2 (0.50) | TAAR1CYP1A2CYP2A6PTGS1PTGS2 | |
| SCHEMBL16507870 | 0.77 | TAAR1 (0.54) | TAAR1GFERPTGS1PTGS2CYP19A1 | |
| SCHEMBL8096035 | 0.74 | GFER (0.46) | GFERPTGS1PTGS2CYP19A1 | |
| SCHEMBL19400463 | 0.74 | TAAR1 (0.45) | TAAR1CYP1A2CYP2A6PTGS1PTGS2 | |
| SCHEMBL21736856 | 0.72 | NOS3 (0.35) | TAAR1 | |
| SCHEMBL13577066 | 0.72 | TAAR1 (0.52) | TAAR1CYP1A2CYP2A6GFERPTGS1 | |
| SCHEMBL19255610 | 0.71 | GFER (0.74) | TAAR1CYP1A2CYP2A6GFERKCNH2 | |
| SCHEMBL10452106 | 0.71 | CYP1A2 (0.59) | TAAR1CYP1A2CYP2A6GFERKCNH2 |
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-3497091-B1 | CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS | LILLY CO ELI (US) | 2020-10-07 | — | — | EP | disclosed |