Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28740310 | 0.86 | CDK2 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL8065086 | 0.86 | TSHR (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL29186007 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL1354508 | 0.81 | PKM (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL30752461 | 0.79 | TSHR (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL29185998 | 0.79 | TSHR (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL27461738 | 0.79 | DPP4 (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL29186004 | 0.78 | AKR1C2 (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL29186005 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL11030713 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1737831-A4 | NEUROLOGICALLY-ACTIVE COMPOUNDS | PRANA BIOTECHNOLOGY LTD (AU) | 2009-07-22 | — | — | EP | disclosed |
| EP-1737831-A1 | NEUROLOGICALLY-ACTIVE COMPOUNDS | Prana Biotechnology Limited (AU) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005095360-A1 | NEUROLOGICALLY-ACTIVE COMPOUNDS | PRANA BIOTECHNOLOGY LIMITED (AU) | 2005-10-13 | — | — | WO | disclosed |