Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091229 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HPGD | |
| SCHEMBL814919 | 0.65 | CYP3A4 (0.37) | ALDH1A1TP53 | |
| SCHEMBL12109854 | 0.64 | HTT (0.46) | ALDH1A1HPGDGAATP53SMN1; SMN2 | |
| SCHEMBL2093741 | 0.64 | ALDH1A1 (0.59) | ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL8202097 | 0.63 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL8472083 | 0.62 | ALDH1A1 (0.58) | ALDH1A1HPGDSMN1; SMN2NPC1MAPT | |
| SCHEMBL3693275 | 0.62 | CYP3A4 (0.35) | — | |
| SCHEMBL3695633 | 0.62 | CYP3A4 (0.35) | — | |
| SCHEMBL8462970 | 0.62 | ALDH1A1 (0.56) | ALDH1A1HPGDSMN1; SMN2NPC1MAPT | |
| SCHEMBL19626571 | 0.62 | ALDH1A1 (0.51) | ALDH1A1HPGDNPC1MAPTRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3176156-B1 | ALKYLAMIDOTHIAZOLES, COSMETIC AND DERMATOLOGICAL PREPARATIONS CONTAINING THEM, AND THEIR USE FOR THE TREATMENT AND PROPHYLAXIS OF UNWANTED PIGMENTATION OF THE SKIN | BEIERSDORF AG (DE) | 2019-06-12 | — | — | EP | disclosed |