Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6384616 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| SCHEMBL1310699 | 0.77 | CYP1A2 (0.52) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| SCHEMBL28483321 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| SCHEMBL10683962 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| SCHEMBL7401352 | 0.77 | CYP1A2 (0.46) | CYP1A2TAAR1CYP2D6MAPTKMT2A | |
| SCHEMBL396913 | 0.77 | CHRM2 (0.51) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| SCHEMBL374784 | 0.77 | CYP2C19 (0.57) | CYP1A2CYP2D6MAPTKMT2ACHRM2 | |
| Hydrochloric Acid SCHEMBL10683907 | 0.77 | KCNN4 (0.56) | CYP1A2TAAR1CYP2D6MAPTKMT2A | |
| SCHEMBL8590985 | 0.77 | KIF11 (0.48) | CYP1A2CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL9517912 | 0.76 | CYP1A2 (0.45) | CYP1A2CYP2D6MAPTKMT2ACHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119364-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-21 | — | — | US | disclosed |
| US-20100304430-A1 | Methods for Generating Analogs of Coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-02 | — | — | US | disclosed |
| US-7727738-B2 | Methods for generating analogs of coenzyme A | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-06-01 | — | — | US | disclosed |
| US-20070128683-A1 | Metabolic delivery of coenzyme A analogs | NATIONAL SCIENCE FOUNDATION | 2007-06-07 | — | — | US | disclosed |