Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | KRAS | P01116 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9341495 | 1.00 | ABCG2 (0.55) | ABCG2ALDH1A1SMN1; SMN2MAOBKDM4E | |
| SCHEMBL9342641 | 0.90 | ABCG2 (0.52) | ABCG2ALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL9342653 | 0.90 | ABCG2 (0.52) | ABCG2ALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL9341505 | 0.88 | ABCG2 (0.53) | ABCG2ALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL9341515 | 0.88 | ABCG2 (0.53) | ABCG2ALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL9338192 | 0.87 | ABCG2 (0.74) | ABCG2MAOBLMNAMAPTCYP1A2 | |
| SCHEMBL9338182 | 0.87 | ABCG2 (0.74) | ABCG2MAOBLMNAMAPTCYP1A2 | |
| SCHEMBL9337747 | 0.87 | ABCG2 (0.49) | ABCG2ALDH1A1SMN1; SMN2MAOBKDM4E | |
| SCHEMBL9337770 | 0.87 | ABCG2 (0.49) | ABCG2ALDH1A1SMN1; SMN2MAOBKDM4E | |
| SCHEMBL9338518 | 0.86 | ABCG2 (0.76) | ABCG2SMN1; SMN2MAOBLMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0328668-B1 | NONLINEAR OPTICAL MATERIAL | NIPPON OILS & FATS CO LTD (JP) | 1994-05-25 | — | — | EP | disclosed |
| US-5045239-A | Chalcone derivative | NIPPON OIL AND FATS CO., LTD. (JP) | 1991-09-03 | — | — | US | disclosed |
| EP-0328668-A1 | NONLINEAR OPTICAL MATERIAL | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | disclosed |