Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 10/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Polychlorinated Biphenyl 126 SCHEMBL308662 | 1.00 | AHR (1.00) | AHRCYP1B1TP53NPC1RAB9A | |
| Polychlorinated Biphenyl 126 SCHEMBL6535350 | 1.00 | AHR (1.00) | AHRCYP1B1TP53NPC1RAB9A | |
| SCHEMBL137915 | 0.88 | AHR (1.00) | AHRCYP1B1TP53NPC1RAB9A | |
| SCHEMBL29769221 | 0.88 | AHR (1.00) | AHRCYP1B1TP53NPC1RAB9A | |
| SCHEMBL8773697 | 0.84 | AHR (0.71) | AHRCYP1B1ALDH1A1CYP3A4TSHR | |
| SCHEMBL2906064 | 0.82 | AHR (0.67) | AHRCYP1B1ALDH1A1CYP3A4TSHR | |
| SCHEMBL29776914 | 0.81 | AHR (0.74) | AHRCYP1B1TP53NPC1RAB9A | |
| SCHEMBL4454434 | 0.81 | AHR (0.74) | AHRCYP1B1TP53NPC1RAB9A | |
| SCHEMBL8773713 | 0.79 | AHR (0.70) | AHRCYP1B1NPC1RAB9AALDH1A1 | |
| SCHEMBL4450479 | 0.79 | AHR (0.65) | AHRCYP1B1TP53NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1353741-A2 | METHODS AND APPARATUS FOR SEPARATING AND DETECTING SPECIFIC POLYHALOGENATED DIAROMATIC HYDROCARBONS | Xenobiotic Detection Systems International, Inc. (US) | 2003-10-22 | — | — | EP | disclosed |
| WO-2001093989-A2 | METHODS AND APPARATUS FOR SEPARATING AND DETECTING SPECIFIC POLYHALOGENATED DIAROMATIC HYDROCARBONS | XENOBIOTIC DETECTION SYSTEMS INTERNATIONAL, INC. (US) | 2001-12-13 | — | — | WO | disclosed |