Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7075432 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL6908896 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL8077428 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL14852984 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL9304794 | 0.77 | ALDH1A1 (0.73) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL11577944 | 0.77 | TAAR1 (0.46) | ALDH1A1LMNAHTR2AHRH1MAPT | |
| SCHEMBL6389191 | 0.76 | OPRK1 (0.56) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL8084726 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL6055403 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHROPRM1OPRK1 | |
| SCHEMBL19731897 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHROPRM1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4352752-A | — | — | None | — | — | JP | disclosed |
| JP-H04352752-A | BENZOIC ACID DERIVATIVE | MITSUI TOATSU CHEM INC | 1992-12-07 | — | — | JP | disclosed |