Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL700674 | 0.79 | CCR2 (0.51) | ALDH1A1CCR2MCL1MRGPRX4L3MBTL1 | |
| SCHEMBL1570190 | 0.72 | CA1 (0.47) | ALDH1A1L3MBTL1KDM4EUSP2MEN1 | |
| SCHEMBL9365247 | 0.72 | ALDH1A1 (0.42) | ALDH1A1MCL1L3MBTL1GLAKDM4E | |
| SCHEMBL30194405 | 0.69 | DAO (0.57) | ALDH1A1CCR2MCL1DAOTSHR | |
| SCHEMBL699903 | 0.69 | F10 (0.48) | ALDH1A1L3MBTL1KDM4EMEN1TSHR | |
| SCHEMBL700831 | 0.69 | MCL1 (0.52) | ALDH1A1CCR2MCL1NTRK1KDM4E | |
| SCHEMBL700805 | 0.68 | CCR2 (0.48) | ALDH1A1HTTCCR2MCL1L3MBTL1 | |
| SCHEMBL699964 | 0.67 | CCR2 (0.65) | ALDH1A1HTTCCR2KDM4EHCRTR1 | |
| SCHEMBL5005325 | 0.67 | SRD5A2 (0.61) | MCL1MRGPRX4L3MBTL1XBP1MEN1 | |
| SCHEMBL23152135 | 0.66 | MRGPRX4 (0.56) | ALDH1A1MRGPRX4TTRMEN1TSHR |
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-2111406-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | Merck & Co., Inc. (US) | 2009-10-28 | — | — | EP | disclosed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |