Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL515696 | 0.74 | SLC6A2 (0.46) | CYP2D6ALDH1A1OPRM1OPRD1OPRL1 | |
| SCHEMBL9486483 | 0.73 | AKR1C1 (0.43) | HDAC4CYP2D6 | |
| SCHEMBL2597751 | 0.73 | HDAC4 (0.51) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL431704 | 0.73 | HDAC4 (0.51) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL29440623 | 0.73 | HDAC4 (0.51) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL23904583 | 0.73 | HDAC4 (0.51) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL15601047 | 0.70 | CYP2C9 (0.42) | HDAC4HDAC7HDAC5CYP3A4CYP1A2 | |
| SCHEMBL19696914 | 0.70 | SLC1A1 (0.54) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL2311787 | 0.70 | SLC1A1 (0.54) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL5523612 | 0.70 | EPHX1 (0.49) | HDAC4HDAC7HDAC5CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011524906-A | — | — | 2011-09-08 | — | — | JP | claimed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | claimed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | claimed |