Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28758200 | 0.86 | ANO1 (0.45) | ANO1ALDH1A1KDM4ELMNACYP11B1 | |
| SCHEMBL3922656 | 0.80 | ANO1 (0.42) | ANO1HTR2CLMNACYP11B1CYP11B2 | |
| SCHEMBL29648921 | 0.78 | ANO1 (0.46) | ANO1KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL22979877 | 0.78 | ANO1 (0.46) | ANO1KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL29646503 | 0.76 | TSHR (0.53) | ANO1ALDH1A1L3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL2115556 | 0.76 | TSHR (0.53) | ANO1ALDH1A1L3MBTL1CYP11B1CYP11B2 | |
| SCHEMBL30843111 | 0.76 | ABL1 (0.51) | ANO1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL8712803 | 0.75 | HTT (0.54) | ALDH1A1KDM4ELMNATDP1MEN1 | |
| SCHEMBL31743138 | 0.75 | MAP2 (0.50) | ANO1ALDH1A1KDM4ECYP11B1CYP11B2 | |
| SCHEMBL16957723 | 0.75 | ANO1 (0.44) | ANO1HTR2CALDH1A1LMNACYP11B1 |
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-2398796-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094126-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |