Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | PPOX | P50336 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7596678 | 0.93 | METAP1 (0.49) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL7590593 | 0.85 | METAP1 (0.54) | S100A4HTR2AHTR2CHTR2BAADAT | |
| SCHEMBL8317502 | 0.83 | AADAT (0.51) | S100A4HTR2AHTR2CF7PARP1 | |
| Hydrochloric Acid SCHEMBL8479117 | 0.81 | AADAT (0.50) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL7847032 | 0.79 | METAP1 (0.43) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL30666550 | 0.79 | ACHE (0.66) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL28520173 | 0.75 | ACHE (0.40) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL11529301 | 0.75 | METAP1 (0.52) | HTR2AHTR2CF7PARP1F3 | |
| SCHEMBL7592816 | 0.75 | HTR2A (0.40) | S100A4HTR2AHTR2CF7PARP1 | |
| SCHEMBL31083864 | 0.74 | S100A4 (0.64) | S100A4ACHEMETAP1CYP19A1 |
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-6433228-B1 | REACTING AN ANILINE COMPOUND WITH AROMATIC DIAZONIUM COMPOUND, THEN ACRYLIC COMPOUND; CYCLIZATION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-13 | — | — | US | disclosed |
| US-6355827-B1 | CYANATION OF HALOINDAN-1-ONE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-12 | — | — | US | disclosed |
| EP-1007498-B1 | PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES | BAYER AG (DE) | 2002-02-06 | — | — | EP | disclosed |
| CN-1268114-A | Process for preparing 2-cyanoindan-1-ones | BAYER AG (DE) | 2000-09-27 | — | — | CN | disclosed |
| EP-1007498-A1 | PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES | Bayer Aktiengesellschaft (DE) | 2000-06-14 | — | — | EP | disclosed |
| WO-1999010306-A1 | PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-04 | — | — | WO | disclosed |