Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCH | P24723 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.35 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.35 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 5/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4005503 | 0.99 | PDK4 (0.39) | PDK2PDK4BACE1NSD3AKR1B1 | |
| SCHEMBL2877376 | 0.91 | PDK2 (0.44) | PDK2PDK4AKR1B1ALDH1A1BRD4 | |
| SCHEMBL17881253 | 0.77 | PDK2 (0.38) | PDK2PDK4BACE1NSD3AKR1B1 | |
| SCHEMBL4003437 | 0.77 | GPR119 (0.47) | BACE1PRKCGPRKCBPRKCAPRKCH | |
| SCHEMBL2879602 | 0.72 | PDK2 (0.39) | PDK2PDK4AKR1B1ALDH1A1BRD4 | |
| SCHEMBL17374665 | 0.69 | EPHX2 (0.37) | ALDH1A1HTR2CHTR2AHTR2BPOLB | |
| SCHEMBL8213464 | 0.69 | CALCRL (0.43) | BACE1OPRM1OPRK1OPRL1 | |
| SCHEMBL651023 | 0.68 | HTR2C (0.49) | HTR2CBRD4CREBBPHTR2AHTR2B | |
| SCHEMBL30178303 | 0.68 | HTR2C (0.49) | HTR2CBRD4CREBBPHTR2AHTR2B | |
| SCHEMBL17803169 | 0.68 | HTR2C (0.41) | NSD3ALDH1A1PRKCGPRKCBPRKCA |
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-2009080682-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |