Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | FDPS | P14324 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30462836 | 1.00 | ALDH1A1 (0.64) | ALDH1A1FDPSTSHRCYP2D6LMNA | |
| Hydrochloric Acid SCHEMBL5692430 | 0.99 | ALDH1A1 (0.63) | ALDH1A1FDPSTSHRCYP2D6LMNA | |
| SCHEMBL3435152 | 0.95 | ALDH1A1 (0.58) | ALDH1A1FDPSTSHRCYP2D6LMNA | |
| SCHEMBL29570200 | 0.94 | ALDH1A1 (0.65) | ALDH1A1FDPSTSHRLMNAKDM4E | |
| SCHEMBL4048998 | 0.94 | ALDH1A1 (0.65) | ALDH1A1FDPSTSHRLMNAKDM4E | |
| Hydrochloric Acid SCHEMBL5692356 | 0.93 | ALDH1A1 (0.64) | ALDH1A1FDPSTSHRLMNAKDM4E | |
| SCHEMBL29038429 | 0.90 | FDPS (0.67) | FDPSLMNAKDM4ESMN1; SMN2ACHE | |
| SCHEMBL30462827 | 0.90 | FDPS (0.67) | FDPSLMNAKDM4ESMN1; SMN2ACHE | |
| SCHEMBL4056455 | 0.89 | ALDH1A1 (0.59) | ALDH1A1FDPSTSHRLMNAKDM4E | |
| SCHEMBL29038419 | 0.89 | FDPS (0.65) | ALDH1A1FDPSTSHRLMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-116283936-A | Substituted amino ether-containing 2, 2-dimethyl benzopyran derivative and salt or solvate thereof, preparation and application thereof, and composition | 沈阳药科大学 | 2023-06-23 | — | — | CN | disclosed |
| EP-1299381-B1 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS | ASTRAZENECA AB (SE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2002000649-A9 | SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS | ASTRAZENECA AB (SE) | 2007-09-20 | — | — | WO | disclosed |