Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 3/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3323581 | 0.98 | FFAR1 (0.43) | FFAR1FFAR4HTR1BPKMSCD | |
| SCHEMBL3111588 | 0.84 | FFAR1 (0.46) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL3080508 | 0.83 | HTR1B (0.46) | HTR1BKDM4EHTR2AHTR2CL3MBTL1 | |
| SCHEMBL3095403 | 0.82 | FFAR1 (0.48) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL8297680 | 0.82 | CYP1A2 (0.44) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL3322520 | 0.82 | FFAR1 (0.44) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL3099784 | 0.82 | FFAR1 (0.44) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL10039708 | 0.81 | FFAR1 (0.47) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL31040072 | 0.81 | FFAR1 (0.47) | FFAR1FFAR4PKMSCDSCD5 | |
| SCHEMBL2859876 | 0.80 | FFAR1 (0.46) | FFAR1FFAR4PKMSCDSCD5 |
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-2148878-A1 | NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Ltd. (CA) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008128335-A1 | NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2008-10-30 | — | — | WO | disclosed |