Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | ACP3 | P15309 | 3/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KLRK1 | P26718 | 2/20 | 0.43 |
| ▸ | MICA | Q29983 | 2/20 | 0.43 |
| ▸ | RAET1L | Q5VY80 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11103452 | 0.92 | ACP3 (0.55) | CES2ACP3PNMTTACR1MEN1 | |
| SCHEMBL2304585 | 0.87 | ACP3 (0.56) | CES2ACP3TACR1ALDH1A1CES1 | |
| SCHEMBL4431369 | 0.83 | MEN1 (0.43) | ACP3TACR1NPSR1MEN1KMT2A | |
| SCHEMBL4432979 | 0.83 | AKR1C3 (0.51) | CES2NPSR1AKR1C3AKR1C2POLB | |
| SCHEMBL4432335 | 0.81 | CES2 (0.41) | CES2ACP3TACR1AKR1C3AKR1C2 | |
| SCHEMBL4431561 | 0.81 | AKR1C3 (0.48) | CES2TACR1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL3458826 | 0.80 | CES2 (0.55) | CES2ACP3PNMTNPSR1MEN1 | |
| SCHEMBL27785070 | 0.79 | ACP3 (0.44) | CES2ACP3PNMTMEN1KMT2A | |
| SCHEMBL4432365 | 0.79 | AKR1C3 (0.43) | CES2TACR1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL4435426 | 0.78 | CNR1 (0.40) | CES2AKR1C3AKR1C2SMN1; SMN2CES1 |
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 |