Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21603385 | 0.86 | CYP3A4 (0.37) | CYP3A4ALDH1A1ADRB1ADRB2TSHR | |
| SCHEMBL24993297 | 0.81 | ALDH1A1 (0.39) | CYP3A4ALDH1A1TSHRIDO1 | |
| SCHEMBL19182710 | 0.76 | — | — | |
| SCHEMBL4908117 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CA2TSHRMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL7754393 | 0.75 | IDO1 (0.31) | IDO1 | |
| SCHEMBL1864498 | 0.73 | TSHR (0.42) | CYP3A4TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19182714 | 0.73 | IDO1 (0.36) | CYP3A4TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27738563 | 0.73 | IDO1 (0.52) | CYP3A4TSHRIDO1 | |
| SCHEMBL20856571 | 0.72 | TSHR (0.45) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL2554068 | 0.72 | IDO1 (0.40) | IDO1 |
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-5616810-A | DEALKYLATION BY REACTING AN N-ALKYL OF N,N-DIALKYL ANILINE WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE USING A PYRIDINE SALT CATALYST | RHONE-POULENC CHIMIE (FR) | 1997-04-01 | — | — | US | disclosed |