Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.89 |
| ▸ | MAOB | P27338 | 3/20 | 0.79 |
| ▸ | MAPT | P10636 | 5/20 | 0.76 |
| ▸ | LMNA | P02545 | 3/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | HTT | P42858 | 1/20 | 0.76 |
| ▸ | RAB9A | P51151 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | MEN1 | O00255 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | MAOA | P21397 | 1/20 | 0.69 |
| ▸ | BCHE | P06276 | 4/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | P4HB | P07237 | 1/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL15631514 | 1.00 | ABCG2 (0.89) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL12871329 | 0.91 | ABCG2 (0.94) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL1180393 | 0.91 | ABCG2 (0.94) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL8987072 | 0.88 | MAOB (1.00) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL8987069 | 0.88 | MAOB (1.00) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL28562761 | 0.87 | ABCG2 (0.86) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL11937151 | 0.87 | MAOB (0.77) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL31298986 | 0.87 | MAOB (0.86) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL21002197 | 0.87 | MAOB (0.86) | ABCG2MAOBMAPTLMNANPC1 | |
| SCHEMBL1321091 | 0.86 | ABCG2 (0.84) | ABCG2MAOBMAPTLMNANPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328669-A1 | CHALCONE DERIVATIVE COMPOUNDS | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | claimed |
| 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-0328669-A1 | CHALCONE DERIVATIVE COMPOUNDS | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | disclosed |
| EP-0328668-A1 | NONLINEAR OPTICAL MATERIAL | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | disclosed |