Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.34 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.34 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL10971193 | 0.86 | TSHR (0.61) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL947510 | 0.80 | TSHR (0.79) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL149324 | 0.80 | TSHR (0.79) | TSHRCYP1A2KDM4EGAAIDO1 | |
| 1,2,3-Trichloropropane SCHEMBL28546324 | 0.80 | TSHR (0.47) | TSHRTDP1TP53 | |
| Chlorobenzene SCHEMBL11653316 | 0.79 | TSHR (0.58) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL5038205 | 0.77 | TSHR (0.73) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL8991467 | 0.77 | TSHR (0.73) | TSHRCYP1A2KDM4EGAAIDO1 | |
| SCHEMBL24715429 | 0.76 | TSHR (1.00) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL2168046 | 0.76 | TSHR (1.00) | TSHRCYP1A2KDM4EGAAIDO1 | |
| Chlorobenzene SCHEMBL2044 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100159539-A1 | METHODS AND SYSTEMS FOR PRODUCING BIOFUELS AND BIOENERGY PRODUCTS FROM XENOBIOTIC COMPOUNDS | ASCON MIGUEL | 2010-06-24 | — | — | US | disclosed |