Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28455283 | 0.80 | ADRA1D (0.56) | ADRA1AADRA1DADRA1BMAPTTP53 | |
| SCHEMBL10330500 | 0.79 | KMT2A (0.58) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL7634558 | 0.78 | TSHR (0.51) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL7639416 | 0.78 | TSHR (0.51) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL10357466 | 0.78 | TSHR (0.50) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL8964075 | 0.78 | TSHR (0.50) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL23175649 | 0.77 | ADRA1A (0.41) | HDAC6TSHRGAAADRA1AADRA1D | |
| SCHEMBL9091405 | 0.75 | TSHR (0.48) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL8963512 | 0.75 | TSHR (0.48) | HDAC6TSHRCYP1A2GAAHPGD | |
| SCHEMBL9092439 | 0.75 | TSHR (0.48) | HDAC6TSHRCYP1A2GAAHPGD |
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-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |