Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28709431 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL29434867 | 0.83 | ALDH1A1 (0.57) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL4136922 | 0.83 | RAPGEF4 (0.36) | PTGES2RAPGEF4 | |
| SCHEMBL1510915 | 0.82 | KDM4E (0.41) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL5472656 | 0.80 | CA1 (0.41) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL10177649 | 0.80 | CA1 (0.47) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL31296417 | 0.78 | CA1 (0.52) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL2775483 | 0.78 | CA1 (0.52) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL13012199 | 0.77 | APEX1 (0.50) | ALDH1A1KDM4EPTGES2CA1CA2 | |
| SCHEMBL1245850 | 0.75 | CA1 (0.43) | ALDH1A1KDM4EPTGES2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018089499-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | NAVITOR PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |