Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | PLAU | P00749 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27609200 | 0.79 | ESR1 (0.58) | ALDH1A1TSHRCYP1A2KDM4EHSD17B10 | |
| SCHEMBL2445157 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KDM4EHSD17B10LMNAHPGD | |
| SCHEMBL599166 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TSHRCYP2A6CYP1A2KDM4E | |
| SCHEMBL29218561 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2A6KDM4EHSD17B10 | |
| SCHEMBL15412757 | 0.76 | CYP1A2 (0.56) | ALDH1A1TSHRCYP2A6CYP1A2KDM4E | |
| SCHEMBL8121539 | 0.76 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10LMNACASP1 | |
| SCHEMBL5746926 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP2A6CYP1A2KDM4E | |
| SCHEMBL20651049 | 0.74 | CYP1A2 (0.50) | ALDH1A1TSHRCYP2A6CYP1A2KDM4E | |
| SCHEMBL14100536 | 0.74 | CYP1A2 (0.63) | ALDH1A1TSHRCYP2A6CYP1A2HSD17B10 | |
| SCHEMBL19798970 | 0.74 | CYP2A6 (0.50) | ALDH1A1TSHRCYP2A6CYP1A2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050048663-A1 | Composition and method for detecting an adulterant in an aqueous sample | QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) | 2005-03-03 | — | — | US | disclosed |
| US-6861262-B2 | Composition and method for detecting an adulterant in an aqueous sample | QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) | 2005-03-01 | — | — | US | disclosed |
| WO-2002099419-A1 | COMPOSITION AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE | QUEST DIAGNOSTICS INC (US) | 2002-12-12 | — | — | WO | disclosed |
| US-20020106807-A1 | Composition and method for detecting an adulterant in an aqueous sample | QUEST DIAGNOSTICS, INC. | 2002-08-08 | — | — | US | disclosed |