Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.39 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2328939 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL4803924 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL4889955 | 0.79 | TYMP (0.47) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL3193701 | 0.76 | KMT2A (0.61) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL243853 | 0.76 | KMT2A (0.59) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL1944014 | 0.74 | KMT2A (0.58) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL1032784 | 0.74 | HPGD (1.00) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL1946240 | 0.73 | KMT2A (0.61) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL1948407 | 0.71 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 | |
| SCHEMBL5421938 | 0.71 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HPGDKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6177437-B1 | VIRICIDES | UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER | 2001-01-23 | — | — | US | disclosed |