Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.45 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
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 SCHEMBL6284648 | 0.99 | NPC1 (0.50) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7142887 | 0.89 | TDP1 (0.47) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL6279797 | 0.87 | TDP1 (0.46) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7142799 | 0.84 | NAMPT (0.49) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL7143390 | 0.84 | NT5E (0.52) | NPC1RAB9AKMT2AALDH1A1ELANE | |
| SCHEMBL17762880 | 0.84 | PARP1 (0.50) | NPC1RAB9AKMT2AMEN1TDP1 | |
| Hydrochloric Acid SCHEMBL11477585 | 0.83 | NPC1 (0.48) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7141524 | 0.83 | NPSR1 (0.52) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL6283062 | 0.83 | NT5E (0.51) | NPC1RAB9AKMT2AALDH1A1ELANE | |
| Bromide SCHEMBL6276160 | 0.83 | NAMPT (0.48) | NPC1RAB9AKMT2AALDH1A1MAPT |
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 |