Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 7/20 | 0.40 |
| ▸ | RXRB | P28702 | 6/20 | 0.40 |
| ▸ | RXRG | P48443 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11733309 | 0.83 | CA12 (0.53) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL24445662 | 0.79 | SRD5A2 (0.42) | KMT2ACA12CA1CA2CA3 | |
| SCHEMBL1458531 | 0.73 | KMT2A (0.50) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL7675116 | 0.73 | ALDH1A1 (0.53) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL1458440 | 0.72 | KMT2A (0.48) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL11734471 | 0.72 | ALDH1A1 (0.48) | RXRARXRBRXRGALDH1A1XDH | |
| SCHEMBL16250244 | 0.72 | ALDH1A1 (0.53) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL1458314 | 0.72 | KMT2A (0.48) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL1459414 | 0.72 | KMT2A (0.48) | RXRARXRBRXRGALDH1A1KMT2A | |
| SCHEMBL9944157 | 0.71 | KMT2A (0.44) | RXRARXRBRXRGALDH1A1KMT2A |
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-3074400-B1 | OCTAHYDRO-CYCLOBUTA [1,2-C;3,4-C']DIPYRROLE DERIVATIVES AS AUTOTAXIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-11-15 | — | — | EP | disclosed |