Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13159623 | 0.82 | IDO1 (0.44) | KMT2AALDH1A1GAAPOLBTHRB | |
| SCHEMBL14533543 | 0.81 | KDM4E (0.43) | KDM4EGLAKMT2AALDH1A1GAA | |
| SCHEMBL20873191 | 0.81 | POLB (0.50) | KDM4EGLAKMT2AALDH1A1GAA | |
| SCHEMBL7762059 | 0.81 | KMT2A (0.43) | KDM4EKMT2AALDH1A1GAAPOLB | |
| SCHEMBL6156472 | 0.79 | KDM4E (0.57) | KDM4EGLAALDH1A1GAAPOLB | |
| SCHEMBL13159633 | 0.78 | POLB (0.45) | KDM4EKMT2AALDH1A1GAAPOLB | |
| SCHEMBL10408184 | 0.77 | L3MBTL1 (0.49) | KDM4EKMT2AALDH1A1GAAPOLB | |
| SCHEMBL28557887 | 0.74 | ALDH1A1 (0.50) | KDM4EKMT2AALDH1A1GAAPOLB | |
| SCHEMBL10116969 | 0.74 | KMT2A (0.55) | KDM4EKMT2AALDH1A1POLBSIGMAR1 | |
| SCHEMBL56497 | 0.74 | MAPT (0.75) | KDM4EGLAKMT2AALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6898533-B1 | Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040220749-A1 | Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties | THE GOVT. OF THE USA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES | 2004-11-04 | — | — | US | disclosed |