Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6989880 | 0.84 | TBXAS1 (0.39) | ALDH1A1HPGDMAPK1TP53NPC1 | |
| SCHEMBL7974020 | 0.79 | ALDH1A1 (0.32) | ALDH1A1HPGDMAPK1TP53NPC1 | |
| Trifluoroacetic Acid SCHEMBL7973892 | 0.71 | TBXAS1 (0.34) | ALDH1A1HPGDMAPK1TP53NPC1 | |
| SCHEMBL31564285 | 0.65 | EPHX2 (0.41) | L3MBTL1KMT2ANFKB1NFKB2RELA | |
| SCHEMBL1397675 | 0.64 | ALDH1A1 (0.53) | ALDH1A1HPGDMAPK1TP53NPC1 | |
| SCHEMBL31564128 | 0.64 | EPHX2 (0.40) | L3MBTL1KMT2ANFKB1NFKB2RELA | |
| SCHEMBL31563842 | 0.63 | EPHX2 (0.44) | ALDH1A1HPGDMAPK1NPC1SMN1; SMN2 | |
| SCHEMBL1164480 | 0.62 | SMN1; SMN2 (0.47) | ALDH1A1HPGDNPC1MAPTSMN1; SMN2 | |
| SCHEMBL31563886 | 0.62 | ALDH1A1 (0.43) | ALDH1A1HPGDMAPK1TP53NPC1 | |
| SCHEMBL24576671 | 0.60 | RXFP1 (0.40) | ALDH1A1POLBMEN1LMNAKMT2A |
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-6274619-B1 | FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-14 | — | — | US | disclosed |