Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 10/20 | 0.56 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TPO | P07202 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPX | P11678 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18618945 | 0.85 | RAB9A (0.41) | MPOSCN9AKMT2ATPOCYP3A4 | |
| SCHEMBL18620324 | 0.82 | MPO (0.53) | MPOTPOCYP3A4EPX | |
| SCHEMBL18618819 | 0.81 | MPO (0.51) | MPOTPOCYP3A4EPXNPC1 | |
| SCHEMBL18618950 | 0.81 | MPO (0.56) | MPOALDH1A1 | |
| SCHEMBL18618875 | 0.80 | MPO (0.55) | MPOKMT2ATPOCYP3A4EPX | |
| SCHEMBL18620075 | 0.77 | MPO (0.52) | MPOTPOCYP3A4EPX | |
| SCHEMBL18618877 | 0.77 | MPO (0.55) | MPO | |
| SCHEMBL18620305 | 0.77 | MPO (0.55) | MPOTPOCYP3A4EPX | |
| SCHEMBL18620322 | 0.75 | MPO (0.59) | MPOCYP3A4 | |
| SCHEMBL18620321 | 0.73 | MPO (0.56) | MPOTPOCYP3A4EPXNPC1 |
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-2017040451-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |