Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL635872 | 0.76 | ALDH1A1 (0.38) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL264237 | 0.70 | CNR1 (0.46) | ALDH1A1CYP2C19 | |
| SCHEMBL13939867 | 0.70 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP2D6CHRM1HRH1 | |
| Hydrogen Peroxide SCHEMBL28697848 | 0.68 | CYP1A2 (0.47) | ALDH1A1NPC1RAB9ACYP2C19 | |
| SCHEMBL1571379 | 0.68 | LTA4H (0.46) | ALDH1A1HTTMAPTCYP2D6CHRM1 | |
| SCHEMBL5140343 | 0.67 | ALDH1A1 (0.40) | ALDH1A1HTTMEN1KMT2ARAB9A | |
| SCHEMBL11207496 | 0.64 | CALM1 (0.48) | ALDH1A1MEN1KMT2AMAPTCYP2C19 | |
| SCHEMBL509229 | 0.63 | FFAR1 (0.58) | ALDH1A1MEN1KMT2ABCHEMAPT | |
| SCHEMBL490893 | 0.63 | KCNJ1 (0.56) | ALDH1A1NPC1RAB9AMAPTKCNH2 | |
| SCHEMBL28235247 | 0.62 | CYP3A4 (0.43) | ALDH1A1KMT2ANPC1RAB9ACYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008009675-A2 | USES OF 3,3'-DIHYDROXYISORENIERATENE AND RELATED CAROTINOIDS | BASF SE (DE) | 2008-01-24 | — | — | WO | disclosed |