Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14972784 | 1.00 | NPC1 (0.54) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972813 | 0.99 | NPC1 (0.55) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972812 | 0.99 | NPC1 (0.55) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3452683 | 0.91 | KMT2A (0.50) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3452681 | 0.91 | KMT2A (0.50) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL13108901 | 0.91 | KMT2A (0.50) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972798 | 0.86 | KMT2A (0.48) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972799 | 0.86 | KMT2A (0.48) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972854 | 0.85 | ALDH1A1 (0.59) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL14972853 | 0.85 | ALDH1A1 (0.59) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896394-B1 | SUBSTITUTED ENAMINONES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | UNIV CALIFORNIA (US) | 2013-05-29 | — | — | EP | claimed |