Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.50 |
| ▸ | CA1 | P00915 | 10/20 | 0.49 |
| ▸ | CA2 | P00918 | 10/20 | 0.49 |
| ▸ | CA12 | O43570 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8633825 | 0.76 | CA2 (0.48) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL8628934 | 0.75 | HSD17B10 (0.44) | — | |
| SCHEMBL8631163 | 0.70 | KDM4E (0.40) | PTGS2 | |
| SCHEMBL8629241 | 0.69 | CA2 (0.40) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL308881 | 0.68 | CA2 (1.00) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL6482321 | 0.68 | CA2 (1.00) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL497671 | 0.68 | PTGS2 (0.81) | PTGS2CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL30685243 | 0.66 | CA2 (0.95) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL5594366 | 0.66 | PTGS2 (0.90) | PTGS2PTGS1 | |
| SCHEMBL795390 | 0.66 | AVPR1A (0.39) | — |
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-RE35754-E | FOR TREATING BACTERIAL INFECTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5710146-A | ANTIBIOTICS FOR BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5089490-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| US-4758556-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-19 | — | — | US | disclosed |
| US-4399131-A | Cephem derivatives | HOECHST AG (DE) | 1983-08-16 | — | — | US | disclosed |
| US-4278793-A | ANTIBIOTICS, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |