Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 2/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076237 | 0.87 | CYP11B2 (0.51) | SLC6A7ADRB2MEN1KMT2AMGLL | |
| SCHEMBL12409671 | 0.87 | CYP11B2 (0.51) | SLC6A7ADRB2MEN1KMT2AMGLL | |
| SCHEMBL1912094 | 0.84 | SLC6A7 (0.53) | SLC6A7ADRB2MEN1KMT2AMGLL | |
| SCHEMBL10076236 | 0.83 | GRM5 (0.56) | ALDH1A1SLC6A7ADRB2MEN1KMT2A | |
| SCHEMBL8274693 | 0.83 | HDAC3 (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4414272 | 0.82 | SLC6A7 (0.45) | ALDH1A1SLC6A7ADRB2MEN1KMT2A | |
| SCHEMBL16676690 | 0.82 | NPC1 (0.65) | ALDH1A1MEN1KMT2ACYP2C19HPGD | |
| SCHEMBL12075647 | 0.82 | SLC6A7 (0.45) | ALDH1A1SLC6A7ADRB2MEN1KMT2A | |
| SCHEMBL10195594 | 0.80 | PKM (0.61) | ALDH1A1MEN1KMT2AMGLLHPGD | |
| SCHEMBL300831 | 0.79 | HPGD (0.68) | ALDH1A1SLC6A7ADRB2MEN1KMT2A |
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-2655357-B1 | INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS | MERCK SERONO SA (CH) | 2016-06-22 | — | — | EP | disclosed |