Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA7 | P43166 | 3/20 | 0.60 |
| ▸ | CA9 | Q16790 | 3/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL691510 | 0.86 | ESR1 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31556327 | 0.85 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9328767 | 0.85 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6640579 | 0.85 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3243690 | 0.83 | ALDH1A1 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1664013 | 0.83 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6745027 | 0.82 | ESR1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7304252 | 0.82 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8856963 | 0.82 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3595464 | 0.82 | ESR1 (0.59) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5502073-A | INSECTICIDES OR ANTHELMINTICS | THE WELLCOME FOUNDATION (GB) | 1996-03-26 | — | — | US | disclosed |
| EP-0296479-B1 | Fluorobenzoates and process for their production | IHARA CHEMICAL IND CO (JP) | 1994-03-30 | — | — | EP | disclosed |
| EP-0294229-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-12-02 | — | — | EP | disclosed |
| US-4916253-A | Fluorobenzoates and process for their production | IHARA CHEMICAL INDUSTRY COMPANY, LTD. (JP) | 1990-04-10 | — | — | US | disclosed |
| EP-0296479-A2 | Fluorobenzoates and process for their production | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 1988-12-28 | — | — | EP | disclosed |
| EP-0294229-A2 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-12-07 | — | — | EP | disclosed |