Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31540874 | 0.80 | NR1H2 (0.38) | CYP1A2CYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL788138 | 0.77 | KCNN4 (0.35) | NAPRTTSHRKCNN4ALDH1A1 | |
| SCHEMBL15669154 | 0.77 | KCNN4 (0.35) | NAPRTTSHRKCNN4ALDH1A1 | |
| Triphenylmethanol SCHEMBL700 | 0.72 | CYP19A1 (0.50) | CYP2D6CYP1A2CYP2C9CYP2C19HPGD | |
| Triphenylmethanol SCHEMBL1332873 | 0.72 | CYP19A1 (0.50) | CYP2D6CYP1A2CYP2C9CYP2C19HPGD | |
| Triphenylmethanol SCHEMBL456603 | 0.72 | CYP19A1 (0.50) | CYP2D6CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL11182253 | 0.71 | NR1H2 (0.33) | HPGDHSD17B10KMT2AMEN1LMNA | |
| SCHEMBL23355982 | 0.71 | TSHR (0.39) | CYP1A2CYP2C19HIF1AKMT2ACYP3A4 | |
| SCHEMBL9050608 | 0.70 | CYP19A1 (0.54) | CYP2D6CYP1A2CYP2C9CYP2C19HPGD | |
| Triphenylmethanol SCHEMBL1565321 | 0.70 | CYP19A1 (0.48) | CYP2D6CYP1A2CYP2C9CYP2C19HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207482-A | Pyrimidine derivatives for treating cancer | 默克专利股份公司 | 2017-09-26 | — | — | CN | claimed |
| CN-107207482-A | Pyrimidine derivatives for treating cancer | 默克专利股份公司 | 2017-09-26 | — | — | CN | disclosed |
| US-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0172427-B1 | PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-07-05 | — | — | EP | disclosed |
| US-4758639-A | Process for production of vinyl polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-19 | — | — | US | disclosed |
| US-4757124-A | Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-07-12 | — | — | US | disclosed |
| EP-0172427-A2 | Process for production of vinyl chloride polymer | Shin-Etsu Chemical Co., Ltd. (JP) | 1986-02-26 | — | — | EP | disclosed |