Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL146520 | 0.98 | TSHR (0.64) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| Iodide SCHEMBL28139636 | 0.95 | TSHR (0.61) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL1594369 | 0.93 | TSHR (0.58) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL9518715 | 0.93 | TSHR (0.58) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL16437098 | 0.93 | TSHR (0.58) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL20120433 | 0.93 | TSHR (0.58) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL9516494 | 0.93 | TSHR (0.58) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL24773684 | 0.90 | TSHR (0.54) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL14673418 | 0.87 | TSHR (0.56) | TSHRTDP1NAAAIDO1ALDH1A1 | |
| SCHEMBL7962760 | 0.87 | TSHR (0.56) | TSHRTDP1NAAAIDO1ALDH1A1 |
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-4151302-A | Araliphatic dihalogen compounds composition and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |
| US-4057647-A | Araliphatic dihalogen compounds and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-11-08 | — | — | US | disclosed |