Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL6299756 | 0.85 | POLB (0.44) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6298600 | 0.82 | POLB (0.42) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6298803 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MAPTRAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL6298823 | 0.77 | MAPT (0.59) | ALDH1A1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL6298817 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6579177 | 0.75 | MAPT (0.36) | ALDH1A1MAPTRAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL10336593 | 0.74 | RAB9A (0.46) | ALDH1A1CYP2C19MAPTNPC1RAB9A | |
| SCHEMBL4982717 | 0.73 | LMNA (0.48) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4097943 | 0.73 | KMT2A (0.53) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL10336591 | 0.72 | NPC1 (0.47) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003525213-A | — | — | 2003-08-26 | — | — | JP | claimed |
| EP-1202718-A2 | SUBSTITUTED GUANIDINES FOR THE TREATMENT OF CANCER AND PAIN | Kadmus Pharmaceuticals, Inc. (US) | 2002-05-08 | — | — | EP | claimed |
| WO-2001007029-A2 | SUBSTITUTED GUANIDINES AND THE USE THEREOF | KADMUS PHARMACEUTICALS, INC. (US) | 2001-02-01 | — | — | WO | claimed |