Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 6/20 | 0.39 |
| ▸ | HRH1 | P35367 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11855903 | 0.76 | KDM4E (0.43) | HTR2AHRH1KDM4ETSHRUSP2 | |
| SCHEMBL11847979 | 0.74 | TSHR (0.40) | NPSR1KDM4ETSHRUSP2MAPT | |
| SCHEMBL11851912 | 0.74 | TSHR (0.42) | NPSR1KDM4ETSHRUSP2MAPT | |
| SCHEMBL11846257 | 0.73 | TSHR (0.46) | NPSR1KDM4ETSHRUSP2MAPT | |
| SCHEMBL11852636 | 0.71 | KDM4E (0.43) | HTR2AHRH1KDM4ETSHRUSP2 | |
| SCHEMBL11852623 | 0.71 | CHRM2 (0.41) | CYP1A2CYP2D6HTR2AHRH1KDM4E | |
| Sulfuric Acid SCHEMBL11852585 | 0.71 | TSHR (0.41) | KDM4ETSHRUSP2MAPTCHRM2 | |
| SCHEMBL11850013 | 0.71 | CHRM2 (0.46) | KDM4ETSHRUSP2MAPTCHRM2 | |
| SCHEMBL11842297 | 0.70 | TSHR (0.45) | ALDH1A1NPSR1KDM4ETSHRUSP2 | |
| SCHEMBL27851767 | 0.70 | TSHR (0.59) | ALDH1A1NPSR1KDM4ETSHRUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3980788-A | XANTHENYL COMPOUNDS | SMITHKLINE CORPORATION (US) | 1976-09-14 | — | — | US | disclosed |