Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16945805 | 0.99 | NR3C1 (0.38) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL22482987 | 0.98 | NR3C1 (0.36) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL19211630 | 0.92 | NR3C1 (0.37) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL23961616 | 0.92 | NR3C1 (0.38) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL24898123 | 0.92 | NR3C1 (0.38) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL23846023 | 0.92 | NR3C1 (0.38) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL27432928 | 0.91 | NR3C1 (0.36) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL24781307 | 0.89 | NR3C1 (0.35) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL22910463 | 0.89 | NR3C1 (0.35) | NR3C1CA12CA1CA2CA4 | |
| SCHEMBL18929353 | 0.89 | NR3C1 (0.35) | NR3C1CA12CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9415117-B2 | Pyrrolobenzodiazepines and conjugates thereof | MEDIMMUNE LIMITED (GB) | 2016-08-16 | — | — | US | disclosed |