Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 9/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 9/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 9/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7820052 | 0.86 | ALDH1A1 (0.41) | ALDH1A1HTTNPC1RAB9AMAPK1 | |
| SCHEMBL7826775 | 0.85 | TSHR (0.48) | ALDH1A1HTTNPC1RAB9AMAPK1 | |
| SCHEMBL7831498 | 0.80 | POLB (0.56) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL8779604 | 0.77 | AKR1C3 (0.39) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL7397668 | 0.77 | AKR1C3 (0.39) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL18871831 | 0.68 | PDK1 (0.49) | ALDH1A1HTTNPC1RAB9AMAPK1 | |
| SCHEMBL8742789 | 0.68 | MTNR1A (0.48) | ALDH1A1HTTTSHRLMNAMEN1 | |
| SCHEMBL7305955 | 0.68 | MTNR1A (0.48) | ALDH1A1HTTTSHRLMNAMEN1 | |
| SCHEMBL15187564 | 0.68 | NOTUM (0.65) | ALDH1A1NPC1RAB9AMAPK1TSHR | |
| SCHEMBL7316234 | 0.67 | MTNR1A (0.47) | ALDH1A1HTTTSHRLMNAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404302-A1 | PHARMACEUTICAL COMPOSITIONS OF ADSORBATES OF AMORPHOUS DRUG | Pfizer Products Inc. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003000238-A1 | PHARMACEUTICAL COMPOSITIONS OF ADSORBATES OF AMORPHOUS DRUG | PFIZER PRODUCTS INC. (US) | 2003-01-03 | — | — | WO | disclosed |