Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1059176 | 0.78 | TSHR (0.40) | TSHRHTTCA1KMT2ACA2 | |
| SCHEMBL1059178 | 0.78 | TSHR (0.40) | TSHRHTTCA1KMT2ACA2 | |
| SCHEMBL10448362 | 0.77 | TRPA1 (0.39) | ALDH1A1TSHRLMNAHPGDMAPK1 | |
| SCHEMBL9172757 | 0.76 | TSHR (0.41) | ALDH1A1TSHRLMNAHPGDMAPK1 | |
| SCHEMBL5555540 | 0.75 | TRPA1 (0.42) | ALDH1A1TSHRLMNAHPGDMAPK1 | |
| SCHEMBL28025902 | 0.74 | EDNRB (0.44) | ALDH1A1TSHRLMNAMAPK1CYP1A2 | |
| SCHEMBL12228350 | 0.74 | EDNRB (0.44) | ALDH1A1TSHRLMNAMAPK1CYP1A2 | |
| SCHEMBL12228351 | 0.74 | EDNRB (0.44) | ALDH1A1TSHRLMNAMAPK1CYP1A2 | |
| SCHEMBL4963881 | 0.74 | POLB (0.47) | ALDH1A1TSHRLMNAHPGDMAPK1 | |
| SCHEMBL603883 | 0.73 | CYP1A2 (0.45) | ALDH1A1TSHRLMNAMAPK1CYP1A2 |
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-5563161-A | ANTIIFLAMMATORY, ANTIMIGRANE AND ANTIARTHRITIC AGENT | MERCK SHARP & DOHME LTD. (GB) | 1996-10-08 | — | — | US | disclosed |