Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL736508 | 0.85 | AVPR1A (0.53) | AVPR1AHRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL2212850 | 0.85 | PDK2 (0.43) | AVPR1AALKHRH3PDK2CA12 | |
| Hydrochloric Acid SCHEMBL20955425 | 0.84 | AVPR1A (0.52) | AVPR1AHRH3OPRD1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6820160 | 0.79 | SIGMAR1 (0.41) | AVPR1APDK2ALDH1A1OPRD1MAPT | |
| SCHEMBL3839131 | 0.75 | AVPR1A (0.50) | AVPR1ANPY5R | |
| SCHEMBL22057308 | 0.75 | NPY5R (0.45) | AVPR1AMAPTNPY5R | |
| SCHEMBL18373156 | 0.75 | NPY5R (0.45) | AVPR1AALDH1A1KDM4EOPRM1OPRD1 | |
| SCHEMBL4369332 | 0.75 | AKR1A1 (0.41) | AVPR1AALKHRH3PDK2CA12 | |
| SCHEMBL5136522 | 0.75 | SIGMAR1 (0.42) | AVPR1ANPY5R | |
| SCHEMBL736532 | 0.75 | AVPR1A (0.53) | AVPR1AHRH3ALDH1A1OPRD1NPY5R |
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-2125726-B1 | SPIRO-PIPERIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-07-27 | — | — | EP | disclosed |