Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.72 |
| ▸ | CA2 | P00918 | 5/20 | 0.69 |
| ▸ | CA1 | P00915 | 5/20 | 0.69 |
| ▸ | ACE | P12821 | 2/20 | 0.64 |
| ▸ | MME | P08473 | 1/20 | 0.60 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.60 |
| ▸ | CTSL | P07711 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | HPGDS | O60760 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL3497780 | 1.00 | PTPN1 (0.72) | PTPN1CA2CA1ACEMME | |
| SCHEMBL3404637 | 0.94 | CA2 (0.69) | PTPN1CA2CA1ACEMME | |
| SCHEMBL8667639 | 0.94 | CA2 (0.69) | PTPN1CA2CA1ACEMME | |
| SCHEMBL5793343 | 0.94 | CA2 (0.69) | PTPN1CA2CA1ACEMME | |
| SCHEMBL8671997 | 0.94 | CA2 (0.77) | PTPN1CA2CA1ACEMME | |
| SCHEMBL4054764 | 0.94 | CA2 (0.77) | PTPN1CA2CA1ACEMME | |
| SCHEMBL4054766 | 0.94 | CA2 (0.77) | PTPN1CA2CA1ACEMME | |
| SCHEMBL4364597 | 0.93 | PTPN1 (0.64) | PTPN1CA2CA1ACEMME | |
| SCHEMBL6513134 | 0.93 | CA2 (0.68) | PTPN1CA2CA1ACEMME | |
| SCHEMBL528464 | 0.90 | ACE (0.76) | PTPN1CA2CA1ACEMME |
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 |
|---|---|---|---|---|---|---|---|
| CN-112837763-A | Structure search method, structure search device, and recording medium | 富士通株式会社 | 2021-05-25 | — | — | CN | disclosed |
| CN-111816257-A | Combination structure search device, combination structure search method, and medium | 富士通株式会社 | 2020-10-23 | — | — | CN | disclosed |
| US-5986136-A | Photolabeling reagent | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0178911-B1 | COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC | SANKYO COMPANY LIMITED (JP) | 1992-01-22 | — | — | EP | disclosed |
| US-4757066-A | Reduces renal toxicity | SANKYO COMPANY LIMITED (JP) | 1988-07-12 | — | — | US | disclosed |
| EP-0178911-A2 | Composition containing a penem or carbapenem antibiotic | SANKYO COMPANY LIMITED (JP) | 1986-04-23 | — | — | EP | disclosed |