Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28089668 | 0.74 | CYP1A2 (0.58) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL27326985 | 0.74 | CYP1A2 (0.58) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL2514598 | 0.74 | CYP1A2 (0.63) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL11135471 | 0.72 | CYP1A2 (0.71) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL6185754 | 0.72 | CYP1A2 (0.57) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL13990186 | 0.70 | CYP1A2 (1.00) | CYP1A2CYP2D6HTR1DHTR1B | |
| SCHEMBL10108781 | 0.70 | CYP1A2 (0.54) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL11190221 | 0.69 | CYP1A2 (0.74) | CYP1A2CYP2D6TAAR1LMNAADRA2A | |
| SCHEMBL770323 | 0.68 | — | — | |
| SCHEMBL11136379 | 0.68 | CALM1 (0.37) | CYP1A2CYP2D6TAAR1ALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1980963-A | Epoxy resin additive | ROEHM GMBH (DE) | 2007-06-13 | — | — | CN | disclosed |
| CN-1950431-A | Plastisols based on a methylmethacrylate copolymer | ROEHM GMBH (DE) | 2007-04-18 | — | — | CN | disclosed |
| US-4749444-A | DRAINING STOCK; MIXING BENTONITE, CATIONIC POLYELECTROLYTE, ACRYLAMIDE OR METHACRYLAMIDE POLYMER | BASF AKTIENGESELLSCHAFT (DE) | 1988-06-07 | — | — | US | disclosed |
| EP-0223223-A1 | Process for the production of paper and cardboard | BASF Aktiengesellschaft (DE) | 1987-05-27 | — | — | EP | disclosed |