Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GSTP1 | P09211 | 3/20 | 0.46 |
| ▸ | GSTM2 | P28161 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL25233694 | 0.98 | CA2 (0.58) | CA2MAPTALDH1A1POLBTSHR | |
| SCHEMBL7354209 | 0.98 | CA2 (0.58) | CA2MAPTALDH1A1POLBTSHR | |
| SCHEMBL25241780 | 0.98 | CA2 (0.58) | CA2MAPTALDH1A1POLBTSHR | |
| SCHEMBL5105394 | 0.95 | CA2 (0.56) | CA2MAPTALDH1A1POLBTSHR | |
| SCHEMBL9570633 | 0.89 | MAPT (0.58) | CA2MAPTALDH1A1POLBIDO1 | |
| SCHEMBL5657641 | 0.87 | MAPT (0.57) | CA2MAPTALDH1A1POLBTSHR | |
| 3-Chloropropanol SCHEMBL6622032 | 0.87 | CA2 (0.49) | CA2MAPTALDH1A1POLBTSHR | |
| SCHEMBL8746687 | 0.83 | ALDH1A1 (0.64) | MAPTALDH1A1POLBTSHRIDO1 | |
| SCHEMBL7354205 | 0.83 | MAPT (0.53) | CA2MAPTALDH1A1POLBIDO1 | |
| SCHEMBL5694459 | 0.83 | MAPT (0.53) | MAPTALDH1A1POLBIDO1MAPK1 |
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-5140026-A | N-aminoalkyl-S-aryl-S-alkyl (or substituted alkyl) sulfoximines as antiarrhythmic agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-18 | — | — | US | disclosed |