Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9988958 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL6808117 | 0.79 | HDAC8 (0.46) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL5141244 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL465333 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHR | |
| SCHEMBL20468050 | 0.76 | POLB (0.38) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL20468080 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL94062 | 0.73 | HRH3 (0.59) | ALDH1A1HDAC6HDAC8PYCR1HRH3 | |
| SCHEMBL17527583 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TAS1R3TAS1R1HDAC6HDAC8 | |
| SCHEMBL18874552 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HDAC6HDAC8CHRNB2CHRNB4 | |
| SCHEMBL6391713 | 0.72 | PYCR1 (0.50) | ALDH1A1HDAC6HDAC8HDAC3PYCR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1311572-B1 | BIOCIDAL POLYURETHANE COMPOSITIONS AND METHOD OF USE | 3M INNOVATIVE PROPERTIES CO (US) | 2011-12-21 | — | — | EP | disclosed |