Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9342531 | 0.83 | SMN1; SMN2 (0.38) | CYP2A6SMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL9338105 | 0.80 | CYP2A6 (0.54) | CYP2A6SMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL9339873 | 0.79 | P4HB (0.51) | CYP2A6MAOBP4HB | |
| SCHEMBL9779232 | 0.78 | SMN1; SMN2 (0.36) | CYP2A6SMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL9338039 | 0.77 | ALDH1A1 (0.41) | CYP2A6SMN1; SMN2ALDH1A1KDM4EHPGD | |
| SCHEMBL9338556 | 0.74 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1KMT2ANPSR1MAPK1 | |
| SCHEMBL9338421 | 0.72 | CYP1A1 (0.45) | SMN1; SMN2ALDH1A1KDM4EKMT2ANPSR1 | |
| SCHEMBL9341978 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL9337420 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1KMT2ANPSR1MAPK1 | |
| SCHEMBL9339663 | 0.70 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A |
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-0328668-B1 | NONLINEAR OPTICAL MATERIAL | NIPPON OILS & FATS CO LTD (JP) | 1994-05-25 | — | — | EP | disclosed |
| EP-0328668-A1 | NONLINEAR OPTICAL MATERIAL | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | disclosed |