Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HMGCR | P04035 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | CPT2 | P23786 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 3/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL444254 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL1274984 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL150609 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL41577 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL4943812 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL7071971 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL17215697 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL2300544 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL9621712 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL4652123 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015144617-A1 | METHOD FOR PREPARING A PURIFIED MADDER ROOT EXTRACT | RUBIA EXPLOITATIE B.V. (NL) | 2015-10-01 | — | — | WO | disclosed |
| EP-2924076-A1 | Method for preparing a purified madder root extract | Rubia Exploitatie B.V. (NL) | 2015-09-30 | — | — | EP | disclosed |