Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8192971 | 0.87 | PTGER4 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1964413 | 0.87 | PTGER4 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28427204 | 0.80 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21982601 | 0.78 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10144991 | 0.77 | CYP4F2 (0.69) | CA2PTGER4RAB9AALDH1A1MAPT | |
| SCHEMBL10954620 | 0.77 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14713357 | 0.77 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4649372 | 0.77 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31094175 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6160950 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104725327-A | Environment-friendly method for preparing high-yield erlotinib hydrochloride | UNIV SHANDONG | 2015-06-24 | — | — | CN | disclosed |