Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH2 | P48735 | 3/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 3/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | CCNK | O75909 | 2/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2243533 | 0.92 | MAPK1 (0.55) | IDH2PIK3CAMKNK1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL3775270 | 0.90 | MAPK1 (0.53) | IDH2PIK3CAMKNK1HRH4HRH3 | |
| SCHEMBL30775331 | 0.84 | IDH1 (0.57) | IDH2HRH4SYKIDH1HDAC8 | |
| SCHEMBL3808227 | 0.77 | IDH1 (0.51) | IDH2MKNK2HRH4SYKIDH1 | |
| SCHEMBL14814959 | 0.77 | ADRB1 (0.43) | IDH2SYKIDH1IKBKBHDAC8 | |
| SCHEMBL17961781 | 0.75 | KDM4E (0.55) | IDH2MKNK1MKNK2HRH4HRH3 | |
| SCHEMBL17961784 | 0.75 | KDM4E (0.55) | IDH2MKNK1MKNK2HRH4HRH3 | |
| SCHEMBL17961788 | 0.75 | KDM4E (0.55) | IDH2MKNK1MKNK2HRH4HRH3 | |
| SCHEMBL28551784 | 0.75 | MKNK1 (0.50) | IDH2MKNK1MKNK2HRH4HRH3 | |
| SCHEMBL30478386 | 0.74 | PIK3CA (0.49) | IDH2PIK3CAHRH4HRH3MAPK1 |
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-2012125661-A1 | SUBSTITUTED 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES USEFUL AS CCR2 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-09-20 | — | — | WO | disclosed |