Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4431484 | 0.85 | APLNR (0.38) | HDAC3HDAC1HDAC6HDAC2AGBL2 | |
| SCHEMBL4432365 | 0.83 | AKR1C3 (0.43) | PDE2AHDAC4AKR1C3AKR1C2TRPM8 | |
| SCHEMBL4428091 | 0.80 | P2RX7 (0.38) | HDAC3HDAC1HDAC6HDAC2CYP3A4 | |
| SCHEMBL4432457 | 0.80 | NPC1 (0.39) | HDAC3HDAC1HDAC6HDAC2AKR1C3 | |
| SCHEMBL4438585 | 0.78 | S1PR3 (0.42) | — | |
| SCHEMBL4433750 | 0.76 | HDAC4 (0.35) | HDAC3HDAC1HDAC6HDAC2POLB | |
| SCHEMBL4441500 | 0.76 | AKR1C3 (0.34) | AKR1C3AKR1C2HTTSMN1; SMN2 | |
| SCHEMBL4435119 | 0.74 | KCNQ3 (0.41) | HDAC3HDAC1HDAC6HDAC2AKR1C3 | |
| SCHEMBL4434008 | 0.72 | AKR1C3 (0.39) | HDAC3HDAC1HDAC6HDAC2POLB | |
| SCHEMBL4432335 | 0.72 | CES2 (0.41) | PDE2AAKR1C3AKR1C2PPARGPPARD |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |