Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.46 |
| ▸ | HMOX1 | P09601 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8542041 | 0.94 | CYP19A1 (0.45) | CYP19A1TBXAS1HMOX1 | |
| Hydrochloric Acid SCHEMBL8698587 | 0.93 | TBXAS1 (0.46) | CYP19A1TBXAS1HMOX1 | |
| SCHEMBL8698471 | 0.91 | HMOX1 (0.46) | CYP19A1TBXAS1HMOX1 | |
| SCHEMBL8696336 | 0.87 | HMOX1 (0.47) | CYP19A1TBXAS1HMOX1 | |
| SCHEMBL8700931 | 0.83 | CYP19A1 (0.46) | CYP19A1TBXAS1HMOX1 | |
| SCHEMBL9261150 | 0.83 | SLC6A2 (0.41) | — | |
| SCHEMBL8699300 | 0.81 | CYP19A1 (0.44) | CYP19A1TBXAS1HMOX1 | |
| SCHEMBL8698204 | 0.81 | CYP3A4 (0.49) | CYP19A1 | |
| SCHEMBL9037944 | 0.80 | SLC6A2 (0.39) | CYP19A1 | |
| SCHEMBL8701279 | 0.80 | NPC1 (0.53) | TBXAS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5741800-A | ANTIINFLAMMATORY AGENT, ANTIALLERGENS | KNOLL AKTIENGESELLACHAFT (DE) | 1998-04-21 | — | — | US | disclosed |