Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5660492 | 0.80 | SMN1; SMN2 (0.53) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL1992671 | 0.80 | SMN1; SMN2 (0.53) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL5659127 | 0.80 | SMN1; SMN2 (0.53) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL15116647 | 0.78 | ACHE (0.46) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL28699476 | 0.75 | KDM4E (0.51) | CYP19A1SMN1; SMN2ACHETSHRLMNA | |
| SCHEMBL14232837 | 0.74 | CYP19A1 (0.45) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL10953757 | 0.74 | METAP1 (0.46) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL15519819 | 0.74 | KMT2A (0.56) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL8911487 | 0.74 | KMT2A (0.56) | CYP19A1SMN1; SMN2HTR2ADRD2HTR2C | |
| SCHEMBL3168569 | 0.73 | CYP19A1 (0.46) | CYP19A1SMN1; SMN2HTR2AHTR2CACHE |
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-5466823-A | Antiinflammatory agents; FDA Orange book listed patent for Celebrex | G.D. SEARLE & CO. (US) | 1995-11-14 | — | — | US | disclosed |