Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TST | Q16762 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3675989 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3688813 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3689630 | 0.88 | ALDH1A1 (0.50) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3677578 | 0.88 | ALDH1A1 (0.50) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL3681302 | 0.88 | ALDH1A1 (0.50) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL4256252 | 0.86 | ALDH1A1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL4250698 | 0.86 | ALDH1A1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL4248219 | 0.82 | ESR1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL4251773 | 0.82 | ESR1 (0.52) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL5510956 | 0.79 | ESR1 (0.61) | ALDH1A1ESR1ADRA2AADORA3TACR2 |
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-20100081770-A1 | GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2010-04-01 | — | — | US | claimed |
| US-8552120-B2 | Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2013-10-08 | — | — | US | disclosed |
| US-20100081770-A1 | GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2010-04-01 | — | — | US | disclosed |