Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 18/20 | 0.65 |
| ▸ | CA9 | Q16790 | 16/20 | 0.65 |
| ▸ | ELANE | P08246 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10519572 | 0.82 | CA12 (0.59) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL26232554 | 0.81 | CA12 (0.68) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL30834902 | 0.79 | CA12 (1.00) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL1101896 | 0.79 | CA12 (1.00) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL10517385 | 0.78 | ELANE (0.63) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL9286836 | 0.77 | CA9 (0.66) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL698407 | 0.76 | CA9 (1.00) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL7281348 | 0.76 | CA12 (0.69) | CA12CA9ELANECA2CA1 | |
| SCHEMBL8282960 | 0.75 | CA12 (0.59) | CA12CA9ELANECA2ALDH1A1 | |
| SCHEMBL28193332 | 0.75 | ALDH1A1 (0.67) | CA12CA9ELANECA2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585392-A | TREATING OR PREVENTING STROKES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-17 | — | — | US | disclosed |
| US-5506246-A | Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues | BAYER AKTIENGESELLSCHAFT (DE) | 1996-04-09 | — | — | US | disclosed |
| US-5300523-A | Binding serotonin receptors, treating nervous system disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1994-04-05 | — | — | US | disclosed |
| US-5298513-A | Serotonin antagonist | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| US-5137901-A | For binding 5-HT 1 receptors; treating central nervous system disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-11 | — | — | US | disclosed |