Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17544664 | 0.85 | RAB9A (0.44) | ALDH1A1OPRD1LMNAOPRK1HTT | |
| SCHEMBL8866412 | 0.83 | SIGMAR1 (0.42) | — | |
| SCHEMBL27757638 | 0.77 | KCNH2 (0.48) | HSD17B10ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9762424 | 0.75 | AVPR1A (0.47) | HSD17B10ALDH1A1TDP1OPRD1OPRK1 | |
| SCHEMBL8866043 | 0.73 | CYP3A4 (0.39) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL11154949 | 0.72 | NISCH (0.73) | HSD17B10ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL20558938 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AHPGDHSP90AA1 | |
| SCHEMBL20558936 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AHPGDHSP90AA1 | |
| SCHEMBL10446678 | 0.70 | ALDH1A1 (0.54) | HSD17B10ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Fluoride SCHEMBL10339918 | 0.69 | HSD17B10 (0.60) | HSD17B10ALDH1A1CYP1A2CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5604224-A | NEURODEGENERATIVE DISORDERS | STERLING WINTHROP INC. (US) | 1997-02-18 | — | — | US | disclosed |
| US-5569655-A | Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1996-10-29 | — | — | US | disclosed |
| EP-0647641-A1 | Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof | STERLING WINTHROP INC. (US) | 1995-04-12 | — | — | EP | disclosed |