Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | GABRP | O00591 | 2/20 | 0.48 |
| ▸ | GABRD | O14764 | 2/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.48 |
| ▸ | GABRE | P78334 | 2/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.48 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.48 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.48 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.42 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12410076 | 1.00 | CYP1A2 (0.60) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3311238 | 0.82 | CHRNB2 (0.50) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL25894623 | 0.81 | CYP1A2 (0.54) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL4955330 | 0.80 | DPP4 (0.41) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Trimethylammonium SCHEMBL27795883 | 0.79 | CYP1A2 (0.86) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL23055054 | 0.78 | CA1 (0.43) | CYP1A2CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL12410073 | 0.77 | TSHR (0.46) | CYP1A2SLC1A1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL5266422 | 0.76 | BLM (0.40) | CYP1A2SLC1A3SLC1A2SLC1A1CHRNB2 | |
| SCHEMBL23157159 | 0.76 | SLC22A6 (0.38) | CYP1A2ACEREN | |
| SCHEMBL13450173 | 0.76 | SLC22A6 (0.38) | CYP1A2ACEREN |
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-8557765-B2 | Spatially-defined macrocycles incorporating peptide bond surrogates | TRANZYME PHARMA INC. (CA) | 2013-10-15 | — | — | US | disclosed |