Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | CCR8 | P51685 | 2/20 | 0.38 |
| ▸ | NCK1 | P16333 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3635950 | 0.93 | CYP2A6 (0.45) | CYP1A2CYP2A6TDP1CCR1CCR5 | |
| SCHEMBL28126126 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CIRAK4 | |
| SCHEMBL4372827 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2A6HTR2AHTR2CIRAK4 | |
| SCHEMBL10262506 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP2A6TDP1CCR1CCR5 | |
| SCHEMBL30244829 | 0.73 | PDPK1 (0.57) | CYP1A2CYP2A6TDP1CCR1CCR5 | |
| SCHEMBL19344714 | 0.73 | PDPK1 (0.57) | CYP1A2CYP2A6TDP1CCR1CCR5 | |
| SCHEMBL14480105 | 0.72 | NOS3 (0.48) | CYP2A6CCR1CCR5CCR8RAB9A | |
| SCHEMBL8404528 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP2A6TDP1CCR1CCR5 | |
| SCHEMBL31482165 | 0.72 | NOS3 (0.48) | CYP2A6CCR1CCR5CCR8RAB9A | |
| SCHEMBL29404737 | 0.72 | CYP1A2 (0.61) | CYP1A2CYP2A6TDP1CCR1CCR5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155751-A1 | PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | AstraZeneca AB (SE) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008136756-A1 | PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | ASTRAZENECA AB (SE) | 2008-11-13 | — | — | WO | disclosed |