Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Trinitrotoluene SCHEMBL20676 | 0.85 | ALDH1A1 (0.61) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL891182 | 0.85 | ALDH1A1 (0.61) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL14966503 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL2566651 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL29643505 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL1272395 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL9101074 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL9101080 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL14966251 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 | |
| Trinitrotoluene SCHEMBL28861138 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR35TSHRTDP1MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9488624-B2 | Chromatographic sample for determining equivalent thermal conditions between liquid chromatography systems | WATERS TECHNOLOGIES CORPORATION (US) | 2016-11-08 | — | — | US | disclosed |
| US-20150276687-A1 | METHOD FOR DETERMINING EQUIVALENT THERMAL CONDITIONS BETWEEN LIQUID CHROMATOGRAPHY SYSTEMS | WATERS TECHNOLOGIES CORP (US) | 2015-10-01 | — | — | US | disclosed |
| US-9086424-B2 | Method for determining equivalent thermal conditions between liquid chromatography systems | WATERS TECHNOLOGIES CORPORATION (US) | 2015-07-21 | — | — | US | disclosed |
| US-20120285223-A1 | METHOD FOR DETERMINING EQUIVALENT THERMAL CONDITIONS BETWEEN LIQUID CHROMATOGRAPHY SYSTEMS | WATERS TECHNOLOGIES CORPORATION (US) | 2012-11-15 | — | — | US | disclosed |
| WO-2011091224-A1 | METHOD FOR DETERMINING EQUIVALENT THERMAL CONDITIONS BETWEEN LIQUID CHROMATOGRAPHY SYSTEMS | WATERS TECHNOLOGIES CORPORATION (US) | 2011-07-28 | — | — | WO | disclosed |