Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5759952 | 0.98 | TLR9 (0.44) | TLR9CYP19A1CYP11B1CYP11B2HSD17B10 | |
| SCHEMBL5763009 | 0.93 | TLR9 (0.47) | TLR9CYP11B1CYP11B2HSD17B10MAPK1 | |
| SCHEMBL5760866 | 0.90 | TLR9 (0.47) | TLR9CYP19A1CYP11B1CYP11B2HSD17B10 | |
| SCHEMBL5759456 | 0.79 | ALDH1A1 (0.42) | HSD17B10MAPK1HMOX1KDM4ENPC1 | |
| SCHEMBL5762521 | 0.76 | TLR9 (0.63) | TLR9HSD17B10HMOX1KDM4EMAPT | |
| SCHEMBL5760940 | 0.76 | PPARA (0.51) | CYP11B1CYP11B2HSD17B10MAPK1HMOX1 | |
| SCHEMBL5759151 | 0.75 | HMOX1 (0.64) | CYP19A1HMOX1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5761819 | 0.74 | HMOX1 (0.47) | HMOX1KDM4ENOS1 | |
| SCHEMBL5759340 | 0.73 | PPARA (0.52) | CYP19A1CYP11B1CYP11B2HSD17B10MAPK1 | |
| SCHEMBL5760109 | 0.72 | HMOX1 (0.65) | CYP19A1HMOX1KDM4EALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1270571-B1 | Heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1270571-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6211215-B1 | AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-03 | — | — | US | disclosed |