Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | RAB9A | P51151 | 5/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.75 |
| ▸ | MAOB | P27338 | 5/20 | 0.75 |
| ▸ | NPC1 | O15118 | 5/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.71 |
| ▸ | GAPDH | P04406 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.71 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 1/20 | 0.71 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | MIF | P14174 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30356319 | 0.86 | RAB9A (1.00) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL177366 | 0.86 | RAB9A (1.00) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL7124667 | 0.83 | KDM4E (0.75) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL8788473 | 0.83 | RAB9A (0.75) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL2202460 | 0.83 | NCOA1 (1.00) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL14389070 | 0.83 | MAOB (0.75) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL4064740 | 0.83 | ALDH1A1 (1.00) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL30096432 | 0.83 | NCOA1 (1.00) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL29517170 | 0.82 | RAB9A (0.78) | ALDH1A1RAB9AKDM4EMAOBNPC1 | |
| SCHEMBL27969864 | 0.81 | MIF (0.75) | ALDH1A1RAB9AKDM4EMAOBNPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020130120-A1 | CANCER METASTASIS INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | disclosed |
| CN-102757416-B | Method for synthesizing 3-arylcoumarin by using N-heterocyclic carbene as catalyst | UNIV ZHEJIANG | 2014-07-09 | — | — | CN | disclosed |
| CN-102757416-A | Method for synthesizing 3-arylcoumarin by using N-heterocyclic carbene as catalyst | UNIV ZHEJIANG | 2012-10-31 | — | — | CN | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |