Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 2/20 | 0.41 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.36 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22555190 | 0.79 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL6975692 | 0.79 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4297034 | 0.79 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL6978115 | 0.78 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4294638 | 0.78 | AGTR2 (0.46) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL21752301 | 0.76 | AGTR2 (0.39) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL4303290 | 0.76 | AGTR2 (0.39) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL22555092 | 0.75 | AGTR2 (0.48) | AGTR2NR1D1OPRM1OPRD1OPRK1 | |
| SCHEMBL20974188 | 0.74 | CA12 (0.38) | KMT2A | |
| SCHEMBL20479729 | 0.74 | ALDH1A1 (0.50) | DPP4CTSLCTSBCTSK |
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-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |