Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9341498 | 0.86 | TUBB1 (0.47) | ABCG2NPC1RAB9ACYP1A1CYP1A2 | |
| SCHEMBL9338444 | 0.86 | ABCG2 (0.56) | ABCG2CYP1A1CYP1A2SMN1; SMN2TUBB1 | |
| SCHEMBL10497463 | 0.84 | PLK1 (0.48) | ABCG2CYP1A2 | |
| SCHEMBL9342171 | 0.84 | NFE2L2 (0.56) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL9337858 | 0.84 | ABCG2 (0.58) | ABCG2NPC1RAB9ACYP1A1CYP1A2 | |
| SCHEMBL9342647 | 0.83 | TUBB1 (0.54) | ABCG2SMN1; SMN2TUBB1KMT2AMAPT | |
| SCHEMBL5085574 | 0.83 | ABCG2 (0.80) | ABCG2NPC1RAB9ACYP1A1CYP1A2 | |
| SCHEMBL9337757 | 0.82 | SMN1; SMN2 (0.42) | ABCG2NPC1RAB9ASMN1; SMN2TUBB1 | |
| SCHEMBL9341509 | 0.81 | TUBB1 (0.48) | ABCG2SMN1; SMN2TUBB1MAOAMAPT | |
| SCHEMBL9342389 | 0.81 | SMN1; SMN2 (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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 4 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 |
| EP-0328669-A1 | CHALCONE DERIVATIVE COMPOUNDS | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-08-23 | — | — | EP | disclosed |