Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL537959 | 0.93 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL21466115 | 0.81 | CA12 (0.57) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL14509945 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL10887099 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL5147226 | 0.80 | KIF11 (0.64) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL27251960 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL24117207 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL28292418 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL14509069 | 0.75 | KIF11 (0.46) | ALDH1A1HSD17B10TSHRCYP3A4HTT | |
| SCHEMBL13547631 | 0.73 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP3A4HTT |
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-5464912-A | Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine | THE DOW CHEMICAL COMPANY (US) | 1995-11-07 | — | — | US | disclosed |
| US-5412044-A | Nitro group terminated mesogenic epoxy resin adducts | THE DOW CHEMICAL COMPANY (US) | 1995-05-02 | — | — | US | disclosed |
| US-5298575-A | Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities | THE DOW CHEMICAL COMPANY (US) | 1994-03-29 | — | — | US | disclosed |