Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 8/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 6/20 | 1.00 |
| ▸ | MAOB | P27338 | 4/20 | 0.77 |
| ▸ | BCHE | P06276 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.63 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | P4HB | P07237 | 1/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL17232229 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL11343789 | 0.87 | MAOB (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL8987297 | 0.87 | BCHE (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL1180395 | 0.87 | MAOB (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL8987299 | 0.87 | BCHE (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL18551819 | 0.86 | ABCG2 (0.81) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL21002197 | 0.85 | MAOB (0.86) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL31298986 | 0.85 | MAOB (0.86) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL17233300 | 0.85 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB | |
| SCHEMBL25219562 | 0.84 | MAOB (0.84) | CYP1A1CYP1A2CYP1B1CYP2D6MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015166040-A2 | COMPOUND | DE MONTFORT UNIVERSITY (GB) | 2015-11-05 | — | — | WO | disclosed |