Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7557516 | 0.88 | MAPT (0.44) | CA1CA7CA12CA14APLNR | |
| SCHEMBL7425805 | 0.86 | HSP90AA1 (0.47) | CA1CA7CA12CA14APLNR | |
| SCHEMBL9424991 | 0.86 | APLNR (0.39) | CA1CA7CA12CA14APLNR | |
| SCHEMBL240769 | 0.83 | CA1 (0.42) | CA1CA7CA12CA14APLNR | |
| SCHEMBL17338702 | 0.82 | APLNR (0.39) | CA1CA7CA12CA14APLNR | |
| SCHEMBL7052487 | 0.82 | APLNR (0.54) | CA1CA7CA12CA14HDAC3 | |
| SCHEMBL1261150 | 0.82 | CYP2D6 (0.40) | CA1CA7CA12CA14APLNR | |
| SCHEMBL1262568 | 0.82 | PHF8 (0.42) | CA1CA7CA12CA14APLNR | |
| SCHEMBL23461797 | 0.80 | TDP1 (0.53) | CA1CA7CA12CA14APLNR | |
| SCHEMBL6463631 | 0.80 | HDAC3 (0.40) | CA1CA7CA12CA14HDAC3 |
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-2018111805-A1 | TETRAHYDROQUINOLINE-BASED BROMODOMAIN INHIBITORS | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2018-06-21 | — | — | WO | disclosed |
| CN-104080783-A | Pyrrole compounds | YAKULT HONSHA KK | 2014-10-01 | — | — | CN | disclosed |