Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6283062 | 0.98 | NT5E (0.51) | NT5EPKMNPC1RAB9AALDH1A1 | |
| SCHEMBL7148793 | 0.86 | GAA (0.45) | NT5EPKMNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL6276618 | 0.84 | GAA (0.44) | NT5EPKMNPC1RAB9AALDH1A1 | |
| SCHEMBL7148265 | 0.84 | NPC1 (0.51) | NT5ENPC1RAB9AALDH1A1VNN1 | |
| SCHEMBL17762880 | 0.84 | PARP1 (0.50) | NPC1RAB9AKCNK3KCNK9PARP1 | |
| Bromide SCHEMBL6284648 | 0.83 | NPC1 (0.50) | NT5ENPC1RAB9AALDH1A1VNN1 | |
| Bromide SCHEMBL3888884 | 0.83 | PARP1 (0.41) | NT5EPKMNPC1RAB9AKCNK3 | |
| Bromide SCHEMBL6285221 | 0.82 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HDAC8KDM4ELMNA | |
| SCHEMBL6505647 | 0.82 | PARP1 (0.43) | NT5EPKMNPC1RAB9AALDH1A1 | |
| SCHEMBL5114755 | 0.82 | PARP1 (0.40) | NT5EPKMNPC1RAB9AALDH1A1 |
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-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |