Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.47 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | PRKACA | P17612 | 3/20 | 0.47 |
| ▸ | GSK3A | P49840 | 3/20 | 0.47 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.47 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.47 |
| ▸ | PRKCG | P05129 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
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 SCHEMBL6283052 | 0.99 | NPC1 (0.53) | NPC1CES2CES1KMT2APARP1 | |
| SCHEMBL7144956 | 0.85 | ALDH1A1 (0.55) | CES2CES1KMT2ACYP2D6CYP3A4 | |
| Bromide SCHEMBL6285575 | 0.84 | ALDH1A1 (0.54) | CES2CES1KMT2ACYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL11490909 | 0.83 | CES2 (0.51) | NPC1CES2CES1KMT2APARP1 | |
| SCHEMBL7140563 | 0.82 | CYP1A2 (0.54) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL5200458 | 0.82 | ROCK2 (0.47) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL3892616 | 0.82 | ROCK2 (0.47) | NPC1CES2CES1KMT2APARP1 | |
| Hydrochloric Acid SCHEMBL6708543 | 0.82 | NPC1 (0.53) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL6284177 | 0.81 | CYP1A2 (0.53) | NPC1CES2CES1KMT2APARP1 | |
| SCHEMBL7143390 | 0.81 | NT5E (0.52) | NPC1KMT2APARP1CHRNA1CHRNG |
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 |