Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL8365288 | 0.88 | CYP1A2 (0.47) | TDP1TSHRALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL11044607 | 0.82 | TSHR (0.42) | TDP1TSHRALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL2519558 | 0.80 | TSHR (0.55) | TDP1TSHRALDH1A1CYP1A2MAPT | |
| SCHEMBL11043616 | 0.79 | TSHR (0.44) | TDP1TSHRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9928436 | 0.78 | MAPT (0.42) | TDP1TSHRALDH1A1CYP1A2L3MBTL1 | |
| SCHEMBL8415102 | 0.77 | TSHR (0.51) | TDP1TSHRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11046564 | 0.73 | TDP1 (0.34) | TDP1TSHRALDH1A1 | |
| SCHEMBL11042004 | 0.72 | TDP1 (0.37) | TDP1TSHRALDH1A1L3MBTL1MAPT | |
| SCHEMBL2224314 | 0.72 | GPR35 (0.59) | TDP1TSHRALDH1A1CYP1A2MAPT | |
| SCHEMBL1828689 | 0.72 | TSHR (0.48) | TDP1TSHRALDH1A1CYP1A2MAPT |
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-20200094301-A1 | Heat-Enhanced Treatment Of Energetic Compounds In Contaminated Soil, Sediment And/Or Water | CDM SMITH INC. | 2020-03-26 | — | — | US | claimed |
| US-20200094301-A1 | Heat-Enhanced Treatment Of Energetic Compounds In Contaminated Soil, Sediment And/Or Water | CDM SMITH INC. | 2020-03-26 | — | — | US | disclosed |
| US-6104190-A | Nuclear quadrupole resonance (NQR) method and apparatus for detecting a nitramine explosive | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2000-08-15 | — | — | US | disclosed |