Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18670053 | 0.89 | KDM4E (0.46) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL8617616 | 0.89 | TSHR (0.47) | L3MBTL1CFTRALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL6848062 | 0.85 | KDM4E (0.46) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL9660736 | 0.84 | POLB (0.48) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL8608729 | 0.83 | KDM4E (0.50) | KDM4ECFTRALDH1A1HPGD | |
| SCHEMBL18682159 | 0.81 | CA1 (0.43) | KDM4EL3MBTL1MRGPRX4MAPTALDH1A1 | |
| SCHEMBL4691963 | 0.80 | CA12 (0.50) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL16647662 | 0.77 | MRGPRX4 (0.51) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL1998616 | 0.77 | CES2 (0.60) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A | |
| SCHEMBL5943406 | 0.77 | CA12 (0.64) | KDM4EL3MBTL1MRGPRX4MEN1KMT2A |
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-5744021-A | 2-alkylmercapto-4-(trifluoromethyl)benzoic esters and a process for their preparation | HOECHST AG (DE) | 1998-04-28 | — | — | US | disclosed |