Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9963605 | 0.88 | PTGS2 (0.45) | SMN1; SMN2NPC1RAB9ATOP2AMAPT | |
| SCHEMBL4488488 | 0.86 | HDAC6 (0.50) | SMN1; SMN2NPC1RAB9AMAPTPTGS2 | |
| SCHEMBL9963498 | 0.82 | TOP2A (0.46) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2543169 | 0.79 | MAPK1 (0.70) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9963615 | 0.75 | PTGS2 (0.43) | ALDH1A1SMN1; SMN2NPC1RAB9ATOP2A | |
| SCHEMBL9963602 | 0.74 | PTGS2 (0.44) | ALDH1A1MAPK1NPC1RAB9AMAPT | |
| SCHEMBL2815755 | 0.72 | MMP3 (0.52) | ALDH1A1MAPK1PTPN1SMN1; SMN2NPC1 | |
| SCHEMBL9963610 | 0.72 | PTGS2 (0.54) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9963487 | 0.72 | NPC1 (0.49) | ALDH1A1MAPK1PTPN1SMN1; SMN2NPC1 | |
| SCHEMBL9963506 | 0.72 | HDAC6 (0.55) | ALDH1A1NPC1RAB9ATOP2AMAPT |
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-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | claimed |
| US-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | disclosed |