Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL698135 | 0.84 | ALDH1A1 (0.47) | CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL1068381 | 0.84 | CYP1A2 (0.48) | CYP1A2ALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL27522805 | 0.82 | CYP1A2 (0.46) | CYP1A2ALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL14635117 | 0.77 | ALDH1A1 (0.39) | ALDH1A1KDM4ESMN1; SMN2LMNAHTT | |
| SCHEMBL1066310 | 0.75 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2HTTMEN1 | |
| SCHEMBL1065307 | 0.75 | CYP1A2 (0.39) | CYP1A2ALDH1A1KDM4ESMN1; SMN2HTT | |
| SCHEMBL509959 | 0.75 | CYP1A2 (0.35) | CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL8050742 | 0.72 | GRIA1 (0.44) | CYP1A2ALDH1A1 | |
| SCHEMBL27919047 | 0.71 | AHR (0.50) | CYP1A2ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL723358 | 0.71 | ALDH1A1 (0.36) | ALDH1A1KDM4ESMN1; SMN2LMNAHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006886-A2 | AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV | BASF SE (DE) | 2011-01-20 | — | — | WO | disclosed |
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |