Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13681219 | 1.00 | TSHR (0.40) | TSHRMAOBFFAR1AGXTSIGMAR1 | |
| SCHEMBL28874019 | 0.88 | TSHR (0.46) | TSHRMAOBAGXTBCHEIDO1 | |
| SCHEMBL279614 | 0.82 | ALDH1A1 (0.45) | TSHRAGXTBCHEIDO1TP53 | |
| SCHEMBL279615 | 0.82 | ALDH1A1 (0.45) | TSHRAGXTBCHEIDO1TP53 | |
| SCHEMBL791873 | 0.81 | ALDH1A1 (0.50) | TSHRAGXTIDO1KDM4EALDH1A1 | |
| SCHEMBL12957222 | 0.80 | TP53 (0.54) | TSHRSIGMAR1TP53CYP1A2CYP2D6 | |
| SCHEMBL13136839 | 0.79 | TP53 (0.52) | TSHRSIGMAR1TP53KDM4EALDH1A1 | |
| SCHEMBL76603 | 0.79 | TP53 (0.52) | TSHRSIGMAR1TP53KDM4EALDH1A1 | |
| SCHEMBL10330363 | 0.78 | IDO1 (0.46) | AGXTIDO1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL487468 | 0.77 | IDO1 (0.48) | MAOBFFAR1AGXTIDO1CYP3A4 |
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-2448925-B1 | EMISSIVE ARYL-HETEROARYL COMPOUNDS | NITTO DENKO CORP (JP) | 2017-12-06 | — | — | EP | disclosed |