Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18915193 | 0.89 | ADRB1 (0.40) | — | |
| SCHEMBL9273370 | 0.85 | KCNA5 (0.36) | ALDH1A1KDM4E | |
| SCHEMBL9212767 | 0.80 | SLC6A9 (0.47) | ALDH1A1MAPTLMNA | |
| SCHEMBL5551311 | 0.80 | SLC6A9 (0.37) | — | |
| SCHEMBL9288210 | 0.79 | SLC6A9 (0.36) | ALDH1A1 | |
| SCHEMBL9288230 | 0.79 | SLC6A9 (0.36) | ALDH1A1 | |
| SCHEMBL9273384 | 0.77 | SLC6A9 (0.35) | ALDH1A1KDM4EMAPT | |
| SCHEMBL9206799 | 0.77 | S1PR1 (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL1394889 | 0.76 | SLC6A9 (0.42) | ALDH1A1MAPT | |
| SCHEMBL23183590 | 0.76 | TSHR (0.49) | ALDH1A1KDM4EMAPTLMNAKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5403572-A | Macrocyclic polyaza compounds containing 5 or 6 membered rings, process for producing them and pharmaceutical media containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-04-04 | — | — | US | disclosed |
| EP-0352218-B1 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AG (DE) | 1995-02-22 | — | — | EP | disclosed |
| US-5334371-A | Marcocyclic polyaza bicyclo compounds containing 5 or 6 membered rings, and method for MRI | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-08-02 | — | — | US | disclosed |
| EP-0352218-A2 | Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-01-24 | — | — | EP | disclosed |