Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155117 | 0.82 | NPC1 (0.42) | NPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL9153940 | 0.81 | MAOB (0.43) | TP53KDM4EHPGDALDH1A1GAA | |
| SCHEMBL9307949 | 0.79 | TP53 (0.39) | TP53KDM4EHPGDALDH1A1GAA | |
| SCHEMBL9150777 | 0.74 | SMN1; SMN2 (0.45) | KDM4EALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9154464 | 0.73 | KDR (0.48) | TP53LMNAMAPTMEN1KMT2A | |
| SCHEMBL9153164 | 0.72 | KDM4E (0.38) | TP53KDM4EHPGDALDH1A1GAA | |
| SCHEMBL6940744 | 0.72 | NPC1 (0.42) | NPC1RAB9AHTTSMN1; SMN2 | |
| SCHEMBL9154452 | 0.71 | RECQL (0.46) | KDM4EALDH1A1NPC1RAB9AHTT | |
| SCHEMBL9158313 | 0.71 | — | — | |
| SCHEMBL9153131 | 0.70 | CYP1A2 (0.43) | TP53KDM4EHPGDALDH1A1GAA |
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-5278186-A | Substituted with secondary amide | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-01-11 | — | — | US | disclosed |