Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4907665 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| SCHEMBL21132544 | 0.78 | ALDH1A1 (0.33) | ALDH1A1TAS1R3TAS1R1CA1CA2 | |
| SCHEMBL8384227 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| SCHEMBL5033232 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| Phosphonic Acid SCHEMBL1421068 | 0.75 | TAS1R3 (0.38) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| SCHEMBL5039083 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| SCHEMBL30917973 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TAS1R3TAS1R1LMNATRPA1 | |
| SCHEMBL570118 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 | |
| SCHEMBL24146430 | 0.73 | ALDH1A1 (0.52) | ALDH1A1TAS1R3TAS1R1LMNATRPA1 | |
| SCHEMBL3669842 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TAS1R3TAS1R1TRPA1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210309874-A1 | TEXTILE PRINTING | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2021-10-07 | — | — | US | disclosed |