Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18411447 | 0.83 | CCR5 (0.47) | ALDH1A1CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL17154908 | 0.83 | CCR5 (0.45) | ALDH1A1CCR5DDX3X | |
| SCHEMBL17155353 | 0.81 | SLC6A2 (0.48) | KMT2ANPC1RAB9ACCR5MEN1 | |
| SCHEMBL17154975 | 0.79 | CCR5 (0.39) | ALDH1A1CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL1197657 | 0.78 | PKM (0.68) | PKMALDH1A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17155077 | 0.77 | MAPK1 (0.42) | PKMALDH1A1KMT2ARAB9ACCR5 | |
| SCHEMBL8397659 | 0.76 | NPC1 (0.56) | PKMKMT2ANPC1RAB9APOLB | |
| SCHEMBL30321478 | 0.76 | NPC1 (0.56) | PKMKMT2ANPC1RAB9APOLB | |
| SCHEMBL16824883 | 0.75 | ALDH1A1 (0.57) | PKMALDH1A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30780915 | 0.73 | MAPT (0.61) | ALDH1A1KMT2ANPC1RAB9APOLB |
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-2015150557-A1 | MACROCYLIC PYRIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |