Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24062615 | 0.87 | KDM4E (0.33) | ALDH1A1KDM4EP2RX7CYP3A4CYP1A2 | |
| SCHEMBL18198309 | 0.76 | P2RX7 (0.34) | ALDH1A1L3MBTL1KDM4EP2RX7CYP3A4 | |
| SCHEMBL24062589 | 0.75 | BTK (0.34) | ALDH1A1L3MBTL1KDM4EP2RX7CYP3A4 | |
| SCHEMBL24062604 | 0.73 | BTK (0.33) | ALDH1A1L3MBTL1KDM4ECYP3A4BTK | |
| SCHEMBL24464608 | 0.73 | RRM2 (0.33) | ALDH1A1L3MBTL1KDM4EP2RX7CYP3A4 | |
| SCHEMBL8866464 | 0.73 | TSHR (0.54) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL25113035 | 0.72 | TDP1 (0.41) | ALDH1A1L3MBTL1KDM4ECYP3A4CYP1A2 | |
| SCHEMBL6263675 | 0.72 | KDM4E (0.57) | ALDH1A1L3MBTL1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL21958003 | 0.71 | TDP1 (0.53) | ALDH1A1L3MBTL1KDM4EHSD17B10HPGD | |
| SCHEMBL14406024 | 0.71 | PARP1 (0.41) | ALDH1A1L3MBTL1KDM4EP2RX7CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728221-B1 | AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-01 | — | — | EP | disclosed |