Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217903 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SLC2A1MAPT | |
| SCHEMBL31070228 | 0.78 | ALDH1A1 (0.51) | ALDH1A1KDM4ETDP1SLC2A1MAPT | |
| SCHEMBL5322137 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1SLC2A1KMT2A | |
| SCHEMBL8863043 | 0.74 | PTPN1 (0.48) | ALDH1A1KDM4ETDP1SLC2A1KMT2A | |
| SCHEMBL2182689 | 0.73 | SMN1; SMN2 (0.43) | ALDH1A1CYP1A2KDM4EKMT2AL3MBTL1 | |
| SCHEMBL10672433 | 0.72 | CTDSP1 (0.46) | ALDH1A1CYP1A2KDM4ETDP1SLC2A1 | |
| SCHEMBL11618681 | 0.72 | NPC1 (0.49) | ALDH1A1KDM4EKMT2AL3MBTL1MAPT | |
| SCHEMBL9911360 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4ETDP1SLC2A1KMT2A | |
| SCHEMBL21100044 | 0.71 | CYP1A2 (0.52) | ALDH1A1CYP1A2KDM4ETDP1KMT2A | |
| SCHEMBL11615970 | 0.70 | MAPT (0.56) | ALDH1A1KDM4EKMT2AL3MBTL1MAPT |
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-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |