Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27856288 | 0.88 | TSHR (0.73) | TSHRCYP1A2TDP1FAAHPRSS1 | |
| Chlorobenzene SCHEMBL7223075 | 0.85 | TSHR (0.69) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL231594 | 0.85 | TSHR (0.69) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL9682474 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL10879665 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL27555170 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL27597095 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL6669403 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| SCHEMBL24715429 | 0.80 | TSHR (1.00) | TSHRCYP1A2ALDH1A1CES2CES1 | |
| Chlorobenzene SCHEMBL1330702 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101072768-A | 5-sulfonyl-1-piperidinyl substituted indole derivatives as 5-ht6 receptor antagonists for the treatment of CNS disorders | GLAXO GROUP LTD (GB) | 2007-11-14 | — | — | CN | disclosed |
| EP-1214299-B1 | MUSCARINIC ANTAGONISTS | SCHERING CORP (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1214299-A1 | MUSCARINIC ANTAGONISTS | SCHERING CORPORATION (US) | 2002-06-19 | — | — | EP | disclosed |
| US-6294554-B1 | AMINEAMIDE HETEROCYCLIC SULFONATE AMINES | SCHERING CORPORATION | 2001-09-25 | — | — | US | disclosed |
| WO-2001021590-A1 | MUSCARINIC ANTAGONISTS | SCHERING CORPORATION (US) | 2001-03-29 | — | — | WO | disclosed |