Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11330314 | 0.81 | RXFP1 (0.54) | CYP1A2CYP3A4TSHRMAPK1RXFP1 | |
| SCHEMBL1060801 | 0.81 | CYP1A2 (0.72) | CYP1A2CYP3A4MAPK1RXFP1ADORA2B | |
| SCHEMBL18166736 | 0.81 | CYP1A2 (0.72) | CYP1A2CYP3A4TSHRMAPK1RXFP1 | |
| SCHEMBL1066761 | 0.80 | CYP1A2 (0.71) | CYP1A2CYP3A4MAPK1RXFP1ADORA2B | |
| SCHEMBL18166737 | 0.80 | CYP1A2 (0.71) | CYP1A2CYP3A4MAPK1RXFP1ALDH1A1 | |
| SCHEMBL18166663 | 0.79 | CYP1A2 (0.71) | CYP1A2CYP3A4MAPK1RXFP1ADORA2B | |
| SCHEMBL20161764 | 0.79 | CYP1A2 (0.71) | CYP1A2CYP3A4TSHRMAPK1RXFP1 | |
| SCHEMBL18166555 | 0.79 | CYP1A2 (0.70) | CYP1A2CYP3A4MAPK1RXFP1ADORA2B | |
| SCHEMBL1066585 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP3A4MAPK1RXFP1ALDH1A1 | |
| SCHEMBL18166590 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP3A4TSHRMAPK1RXFP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4302438-A | Antigen, antiserum and immunoassay for theophylline | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-11-24 | — | — | US | claimed |
| US-4302438-A | Antigen, antiserum and immunoassay for theophylline | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-11-24 | — | — | US | disclosed |