Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7739957 | 0.79 | CRHR1 (0.44) | ALDH1A1MEN1HPGDKMT2ARAB9A | |
| SCHEMBL7736689 | 0.76 | GRIN2D (0.53) | SIGMAR1ALDH1A1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL7737412 | 0.76 | GRIN2D (0.48) | SIGMAR1ALDH1A1CYP2C9MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9221356 | 0.75 | GRIN2D (0.52) | SIGMAR1ALDH1A1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL7737407 | 0.75 | L3MBTL1 (0.48) | ALDH1A1CYP2C9MEN1HPGDKMT2A | |
| SCHEMBL11600676 | 0.73 | ALDH1A1 (0.68) | ALDH1A1CYP2C9MEN1HPGDKMT2A | |
| SCHEMBL16657826 | 0.71 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1CYP2C9MEN1HPGD | |
| Acrylic Acid SCHEMBL1505076 | 0.70 | ALDH1A1 (0.58) | ALDH1A1CYP2C9MEN1HPGDKMT2A | |
| Acrylic Acid SCHEMBL1505000 | 0.69 | ALDH1A1 (0.57) | ALDH1A1CYP2C9MEN1HPGDKMT2A | |
| SCHEMBL1385783 | 0.69 | ALDH1A1 (0.61) | ALDH1A1CYP2C9MEN1HPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002000642-A1 | METHOD FOR PREPARATION OF AN INTERMEDIATE DYE PRODUCT | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2002-01-03 | — | — | WO | disclosed |