Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | QPCT | Q16769 | 1/20 | 0.47 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29522898 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL31510405 | 0.90 | HPGD (0.50) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL29522725 | 0.87 | RAB9A (0.54) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL28478883 | 0.87 | RAB9A (0.54) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL4898390 | 0.84 | TRPV1 (0.52) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL28998317 | 0.83 | ACSS2 (0.49) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL31039603 | 0.82 | KDM4E (0.54) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL20769948 | 0.82 | KDM4E (0.54) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL30006626 | 0.81 | MAPT (0.53) | ALDH1A1HPGDNOTUMNPC1RAB9A | |
| SCHEMBL12903454 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HPGDNOTUMNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111479805-A | Therapeutic indazoles | 罗格斯新泽西州立大学 | 2020-07-31 | — | — | CN | disclosed |