Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MPL | P40238 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CTRC | Q99895 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ATIC | P31939 | 1/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.35 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP3 | Q9H4L4 | 1/20 | 0.35 |
| ▸ | SENP2 | Q9HC62 | 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 | |
|---|---|---|---|---|
| SCHEMBL16633017 | 0.98 | CYP2D6 (0.48) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL12482334 | 0.87 | CYP2D6 (0.43) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL4000559 | 0.87 | CYP2D6 (0.47) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL29996901 | 0.87 | CYP2D6 (0.47) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL5552151 | 0.86 | CYP2D6 (0.46) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL3495406 | 0.81 | NR1I2 (0.44) | CYP2D6NR1I2ALDH1A1HPGDMPL | |
| SCHEMBL6283746 | 0.81 | CYP2D6 (0.42) | CYP2D6ALDH1A1HPGDMPLCYP1A2 | |
| SCHEMBL31398447 | 0.80 | CYP2D6 (0.56) | CYP2D6ALDH1A1HPGDMPLCYP1A2 | |
| SCHEMBL219389 | 0.80 | CYP2D6 (0.56) | CYP2D6ALDH1A1HPGDMPLCYP1A2 | |
| SCHEMBL11418053 | 0.80 | NR1I2 (0.43) | CYP2D6NR1I2ALDH1A1HPGDMPL |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108431017-B | Salts of conjugates for cancer therapy | 拜欧赛特有限公司 | 2021-12-21 | — | — | CN | disclosed |
| CN-111698992-A | Pharmaceutical formulation for the treatment of endometriosis, uterine fibroids, polycystic ovarian syndrome or adenomyosis | 艾伯维公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-111212841-A | Salt and crystal of triazolopyrazine derivative | 安斯泰来制药株式会社 | 2020-05-29 | — | — | CN | disclosed |
| EP-0803548-B1 | Colored thermoplastic resin composition | ORIENT CHEMICAL IND (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-5827911-A | BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-27 | — | — | US | disclosed |
| EP-0803548-A2 | Colored thermoplastic resin composition | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-29 | — | — | EP | disclosed |