Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MC4R | P32245 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | MC3R | P41968 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5062627 | 0.83 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL1412848 | 0.81 | KDM4E (0.59) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 | 0.79 | ADORA3 (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL2310303 | 0.79 | KDM4E (0.59) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL27830128 | 0.79 | NPC1 (0.57) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL12974166 | 0.79 | KDM4E (0.57) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL30586327 | 0.79 | KDM4E (0.59) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL509136 | 0.79 | SMN1; SMN2 (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL29132984 | 0.78 | GAA (0.55) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 | 0.78 | ADORA3 (0.59) | KDM4ENAPRTHCAR2ADORA3TSHR |
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-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |