Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | TDO2 | P48775 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.34 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.34 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
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 SCHEMBL29155870 | 0.80 | TSHR (0.79) | TSHRCYP1A2IDO1TDO2CES2 | |
| Benzene SCHEMBL455048 | 0.80 | ALDH1A1 (0.30) | ALDH1A1CYP2A6 | |
| Chlorobenzene SCHEMBL28869066 | 0.78 | TSHR (0.65) | TSHRCYP1A2IDO1TDO2HSD17B10 | |
| Toluene SCHEMBL458351 | 0.77 | LMNA (0.55) | TSHRCES2CES1ALDH1A1CYP2A6 | |
| Fluorobenzene SCHEMBL3368492 | 0.77 | NFE2L2 (0.41) | TSHRALDH1A1CYP2A6TDP1LMNA | |
| SCHEMBL24715429 | 0.76 | TSHR (1.00) | TSHRCYP1A2IDO1TDO2CES2 | |
| Chlorobenzene SCHEMBL2168046 | 0.76 | TSHR (1.00) | TSHRCYP1A2IDO1TDO2CES2 | |
| Chlorobenzene SCHEMBL2044 | 0.76 | — | — | |
| Chlorobenzene SCHEMBL1568605 | 0.76 | TSHR (1.00) | TSHRCYP1A2IDO1TDO2CES2 | |
| Chlorobenzene SCHEMBL1331798 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |