Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.65 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CASP2 | P42575 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8761037 | 0.86 | CTSC (0.55) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL6346594 | 0.83 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| Fumaric Acid SCHEMBL8761044 | 0.81 | CTSC (0.49) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| Maleic Acid SCHEMBL8761027 | 0.81 | CTSC (0.49) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL3282858 | 0.79 | CCR3 (0.50) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL30599260 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2HTTNPC1RAB9ALMNA | |
| SCHEMBL7664906 | 0.75 | GSK3B (0.44) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL15196505 | 0.74 | NPC1 (0.39) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL3321378 | 0.74 | CYP2D6 (0.56) | LMNAHPGDMEN1KMT2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL9482649 | 0.73 | TAAR1 (0.46) | HPGDCYP2C19KDM4ECYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0557305-B1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | ASTRA AB (SE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0557305-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. | FISONS CORP (US) | 1993-09-01 | — | — | EP | disclosed |
| US-5109017-A | (2-thienyl)alkylamine derivatives having neuroprotective properties | FISONS CORPORATION (US) | 1992-04-28 | — | — | US | disclosed |
| WO-1992005169-A1 | (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES | FISONS CORPORATION (US) | 1992-04-02 | — | — | WO | disclosed |