Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | ALAD | P13716 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4598586 | 0.83 | ALDH1A1 (0.36) | LMNACYP2A6ALDH1A1MEN1MAPT | |
| SCHEMBL4463309 | 0.69 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL1177773 | 0.66 | — | — | |
| SCHEMBL10407504 | 0.64 | PTGS2 (0.36) | CYP1A2LMNAMAPTKMT2ACASP3 | |
| SCHEMBL9265689 | 0.64 | CYP1A2 (0.38) | CYP1A2LMNACYP2A6AHR | |
| SCHEMBL1416545 | 0.61 | CYP1A2 (0.44) | CYP1A2LMNACYP2A6ALDH1A1MEN1 | |
| SCHEMBL4591164 | 0.61 | CYP1A2 (0.39) | CYP1A2LMNACYP2A6ALDH1A1MEN1 | |
| SCHEMBL15253915 | 0.60 | CASP3 (0.35) | CYP1A2LMNAMEN1POLBMAPT | |
| SCHEMBL28215 | 0.60 | CYP1A2 (0.73) | CYP1A2LMNACYP2A6ALDH1A1POLB | |
| SCHEMBL11165087 | 0.60 | CYP1A2 (0.73) | CYP1A2LMNACYP2A6ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1909775-A2 | FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES | Onconova Therapeutics, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007016201-A2 | FORMULATION OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES | ONCONOVA THERAPEUTICS, INC. (US) | 2007-02-08 | — | — | WO | disclosed |