Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ADH1B | P00325 | 3/20 | 0.50 |
| ▸ | ADH1A | P07327 | 3/20 | 0.50 |
| ▸ | ADH7 | P40394 | 3/20 | 0.50 |
| ▸ | ADH1C | P00326 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ADH4 | P08319 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL28076545 | 0.83 | TSHR (0.65) | TSHRALDH1A1ADH1BADH1AADH7 | |
| Pentane SCHEMBL28217044 | 0.83 | TSHR (0.60) | TSHRALDH1A1ADH1BADH1AADH7 | |
| Hexane SCHEMBL913216 | 0.83 | TSHR (0.60) | TSHRALDH1A1ADH1BADH1AADH7 | |
| SCHEMBL1831982 | 0.81 | TSHR (0.44) | TSHRALDH1A1ADH1BADH1AADH7 | |
| Heptane SCHEMBL1975945 | 0.80 | TSHR (0.56) | TSHRADH1BADH1AADH7ADH1C | |
| Hexadecane SCHEMBL28158362 | 0.80 | TSHR (0.56) | TSHRADH1BADH1AADH7ADH1C | |
| Dodecane SCHEMBL28219621 | 0.80 | TSHR (0.56) | TSHRADH1BADH1AADH7ADH1C | |
| Octane SCHEMBL8523622 | 0.80 | TSHR (0.56) | TSHRADH1BADH1AADH7ADH1C | |
| Pentane SCHEMBL28141221 | 0.80 | TSHR (0.56) | TSHRALDH1A1ADH1BADH1AADH7 | |
| Decane SCHEMBL27095057 | 0.80 | TSHR (0.56) | TSHRADH1BADH1AADH7ADH1C |
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 |
|---|---|---|---|---|---|---|---|
| CN-107383304-A | A kind of preparation method of high temperature damping polyurethane curing agent | 福州大学 | 2017-11-24 | — | — | CN | claimed |
| CN-107383304-A | A kind of preparation method of high temperature damping polyurethane curing agent | 福州大学 | 2017-11-24 | — | — | CN | disclosed |
| US-4618452-A | Spot test for 1,3,5-triamino-2,4,6-trinitrobenzene, TATB | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1986-10-21 | — | — | US | disclosed |