Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
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 SCHEMBL6546086 | 0.98 | GAA (0.41) | GAACYP1A2CYP3A4NAPRTNPC1 | |
| SCHEMBL7148793 | 0.87 | GAA (0.45) | GAACYP3A4NAPRTNPC1PKM | |
| Bromide SCHEMBL6276618 | 0.85 | GAA (0.44) | GAACYP3A4NAPRTNPC1PKM | |
| SCHEMBL7147231 | 0.81 | ALDH1A1 (0.42) | GAACYP1A2CYP3A4NPC1PKM | |
| Bromide SCHEMBL6282584 | 0.80 | ALDH1A1 (0.41) | GAACYP1A2CYP3A4NPC1RAB9A | |
| Bromide SCHEMBL6635567 | 0.78 | RAB9A (0.38) | CYP1A2CYP3A4NAPRTNPC1RAB9A | |
| SCHEMBL19104771 | 0.77 | CES2 (0.53) | CYP1A2CYP3A4NAPRTNPC1RAB9A | |
| SCHEMBL7143390 | 0.76 | NT5E (0.52) | NPC1PKMRAB9AKDM4ELMNA | |
| Bromide SCHEMBL6283062 | 0.75 | NT5E (0.51) | NPC1PKMRAB9AKDM4ELMNA | |
| SCHEMBL7142887 | 0.75 | TDP1 (0.47) | GAANPC1RAB9AALDH1A1KMT2A |
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 |