Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869968 | 1.00 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19NFE2L2KMT2A | |
| SCHEMBL15868826 | 1.00 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19NFE2L2KMT2A | |
| SCHEMBL15778438 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL15778440 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL14069230 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL27963424 | 0.81 | NFE2L2 (0.49) | CYP1A2CYP3A4CYP2C19NFE2L2KMT2A | |
| SCHEMBL3237448 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL10669279 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL11013553 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19NFE2L2KMT2A | |
| SCHEMBL10669285 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037980-A | Anxiolytic agents, hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1991-08-06 | — | — | US | disclosed |
| US-4873248-A | Pyridinylpyrimidines having fungicidal activity | SUMITOMO CHEMICAL CO., LTD. (JP) | 1989-10-10 | — | — | US | disclosed |
| EP-0270362-A2 | Pyridinylpyrimidine derivatives, method for production thereof and a fungicide containing them as the active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-06-08 | — | — | EP | disclosed |