Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | PNLIP | P16233 | 1/20 | 0.53 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858916 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6270148 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8203333 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6940362 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL9156502 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1262159 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL8970992 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10398699 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4651346 | 0.98 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL6390359 | 0.98 | CA12 (0.57) | ALDH1A1CA12CA1CA2CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4965395-A | BACTERICIDES | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-10-23 | — | — | US | disclosed |
| EP-0224592-B1 | P-HYDROXYBENZOIC ACID DERIVATIVES | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1989-11-15 | — | — | EP | disclosed |
| EP-0224592-A1 | p-HYDROXYBENZOIC ACID DERIVATIVES | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-06-10 | — | — | EP | disclosed |