Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL29453518 | 0.93 | CYP2A6 (0.71) | CYP2A6CYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL6436152 | 0.93 | CYP2A6 (0.90) | CYP2A6CYP1A2ALDH1A1TSHRNPC1 | |
| SCHEMBL671819 | 0.93 | CYP2A6 (0.71) | CYP2A6CYP1A2KDM4EALDH1A1TSHR | |
| Methane SCHEMBL27895599 | 0.91 | CYP2A6 (0.68) | CYP2A6CYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL24944449 | 0.88 | CYP1A2 (0.79) | CYP2A6CYP1A2KDM4EALDH1A1TSHR | |
| SCHEMBL170230 | 0.88 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1TSHRNPC1 | |
| SCHEMBL29355088 | 0.88 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1TSHRNPC1 | |
| Benzene SCHEMBL28342327 | 0.88 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1TSHRNPC1 | |
| SCHEMBL23628571 | 0.88 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1TSHRNPC1 | |
| Methylene Chloride SCHEMBL28774807 | 0.86 | CYP2A6 (0.62) | CYP2A6CYP1A2KDM4EALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20030148501-A1 | Compositions and methods useful in bioremediation of polychlorinated biphenyls | NATIONAL SCIENCE FOUNDATION | 2003-08-07 | — | — | US | disclosed |
| US-6537797-B1 | Isolated bacterium that utilizes 2,3-dichloro-biphenyl as a sole carbon source | INDIANA UNIVERSITY, ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE | 2003-03-25 | — | — | US | disclosed |