Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.39 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27316536 | 0.78 | P2RX3 (0.53) | P2RX3P2RX2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4243951 | 0.78 | HSP90AA1 (0.46) | BRD4DHODHTTRPTGS2 | |
| SCHEMBL4069438 | 0.77 | POLB (0.50) | L3MBTL1ALDH1A1MAPK1P2RX3P2RX2 | |
| SCHEMBL11401636 | 0.74 | BRD4 (0.59) | BRD4L3MBTL1ALDH1A1MAPK1HTT | |
| SCHEMBL2203391 | 0.73 | TSHR (0.58) | BRD4L3MBTL1ALDH1A1MAPK1HTT | |
| SCHEMBL6682183 | 0.71 | SLC6A4 (0.51) | L3MBTL1ALDH1A1MAPK1HTTP2RX3 | |
| SCHEMBL4239206 | 0.71 | IRAK4 (0.44) | ALDH1A1HTTP2RX3P2RX2MEN1 | |
| SCHEMBL30012597 | 0.71 | HTR7 (0.55) | ALDH1A1MEN1KMT2A | |
| SCHEMBL6406032 | 0.71 | NCOA1 (0.55) | BRD4L3MBTL1ALDH1A1MAPK1HTT | |
| SCHEMBL12618091 | 0.70 | HTR2A (0.53) | DHODHCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |