Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 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 | |
|---|---|---|---|---|
| SCHEMBL11728246 | 0.80 | MAOA (0.62) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL1128327 | 0.80 | MAOA (0.58) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL9407337 | 0.77 | AHR (0.46) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL4298019 | 0.75 | ATM (0.56) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL10896706 | 0.74 | AHR (0.42) | AHRMAOAMAOBATMHDAC3 | |
| Water SCHEMBL7405955 | 0.73 | CACNB4 (0.39) | AHRCACNB4CACNA1ACACNA1GCACNG3 | |
| Bromide SCHEMBL8344294 | 0.73 | CACNB4 (0.39) | AHRCACNB4CACNA1ACACNA1GCACNG3 | |
| SCHEMBL1524420 | 0.72 | CYP2C9 (0.51) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL5606087 | 0.71 | MAOA (0.42) | AHRMAOAMAOBATMHDAC3 | |
| SCHEMBL5618043 | 0.71 | CACNB4 (0.39) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387725-A | Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst | THE DOW CHEMICAL COMPANY (US) | 1995-02-07 | — | — | US | claimed |
| US-5073176-A | Permselective | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-17 | — | — | US | disclosed |