Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2131459 | 0.86 | CYP3A4 (0.60) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL30114522 | 0.86 | CYP3A4 (0.60) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL34463323 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL675338 | 0.82 | CYP3A4 (0.71) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL407595 | 0.82 | TSHR (0.56) | TSHRALOX15DAONAPRTRXRA | |
| SCHEMBL6369689 | 0.82 | KCNN4 (0.57) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL4466320 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL14156831 | 0.79 | CYP3A4 (0.55) | CYP3A4CYP3A5CYP19A1KCNN4HTR2A | |
| SCHEMBL6558548 | 0.75 | SLC2A1 (0.56) | CYP3A4CYP3A5CYP19A1KCNN4TSHR | |
| SCHEMBL4460626 | 0.75 | CYP3A4 (0.51) | CYP3A4CYP3A5CYP19A1KCNN4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2159228-A1 | Amphiphilic solid support | Polymer Laboratories Limited (GB) | 2010-03-03 | — | — | EP | disclosed |