Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL8506891 | 0.86 | CYP1A2 (0.50) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| Phosphoric Acid SCHEMBL7637618 | 0.84 | CYP1A2 (0.49) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| Phosphoric Acid SCHEMBL17529946 | 0.83 | CYP1A2 (0.44) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| Phosphoric Acid SCHEMBL8506894 | 0.83 | CYP1A2 (0.44) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| Phosphoric Acid SCHEMBL28146726 | 0.81 | CYP1A2 (0.43) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL10800335 | 0.81 | CYP1A2 (0.39) | KCNH2ACHECYP1A2CHRNA7CHRNB4 | |
| Phosphoric Acid SCHEMBL8506893 | 0.79 | CYP1A2 (0.46) | ACHECYP1A2CHRNA7CHRNB4CHRNA3 | |
| SCHEMBL1221710 | 0.78 | KDM4E (0.50) | ACHENPSR1CYP1A2CHRNA7CHRNB4 | |
| Hydrogen Sulfide SCHEMBL5998579 | 0.78 | KDM4E (0.54) | ACHENPSR1CYP1A2CHRNA7CHRNB4 | |
| Benzene SCHEMBL29130108 | 0.78 | KDM4E (0.54) | ACHENPSR1CYP1A2CHRNA7CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1554327-B1 | CELLULAR POLYURETHANE ELASTOMERS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF | BAYER MATERIALSCIENCE AG (DE) | 2008-03-26 | — | — | EP | disclosed |
| US-20040077740-A1 | Cellular polyurethane elastomers, a process for preparing these and their use | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-22 | — | — | US | disclosed |