Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | PRKCB | P05771 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | LYN | P07948 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | PRKCH | P24723 | 1/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30786130 | 0.86 | CXCR4 (0.49) | CXCR4KDM4EPRKCQPRKCDTDP1 | |
| SCHEMBL22205248 | 0.84 | CXCR4 (0.61) | CXCR4MC4RKDM4EHRH4LMNA | |
| Hydrochloric Acid SCHEMBL29604571 | 0.82 | CXCR4 (0.59) | CXCR4MC4RKDM4EHRH4LMNA | |
| Bromide SCHEMBL29604007 | 0.82 | CXCR4 (0.59) | CXCR4MC4RKDM4EHRH4LMNA | |
| SCHEMBL2930377 | 0.82 | HRH3 (0.47) | CXCR4KDM4ELMNA | |
| SCHEMBL14851189 | 0.78 | HTR3E (0.53) | CXCR4MC4RKDM4EHRH4LMNA | |
| SCHEMBL24915183 | 0.76 | CXCR4 (0.53) | CXCR4MC4RKDM4EHRH4LMNA | |
| SCHEMBL30323744 | 0.76 | CXCR4 (0.49) | CXCR4MC4RKDM4EHRH4LMNA | |
| SCHEMBL5253618 | 0.76 | FAAH (0.54) | CXCR4MC4RKDM4EHRH4TDP1 | |
| SCHEMBL17331651 | 0.76 | HTR3E (0.54) | CXCR4MC4RKDM4EHRH4LMNA |
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-2229377-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | Wyeth LLC (US) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009076602-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | WYETH (US) | 2009-06-18 | — | — | WO | disclosed |