Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 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 | |
|---|---|---|---|---|
| SCHEMBL25751736 | 1.00 | ALDH1A1 (0.41) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL17298685 | 0.80 | CYP19A1 (0.45) | ALDH1A1LMNASMN1; SMN2NPC1MAPT | |
| SCHEMBL24769893 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL5686249 | 0.79 | LMNA (0.47) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL22951449 | 0.79 | LMNA (0.47) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL5686247 | 0.79 | LMNA (0.47) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL10802341 | 0.75 | FURIN (0.61) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL11961836 | 0.73 | ALDH1A1 (0.46) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL11947946 | 0.73 | ALDH1A1 (0.46) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL514858 | 0.73 | CA9 (0.56) | ALDH1A1LMNACES2CES1TDP1 |
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-3052476-B1 | SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE | GUANGZHOU INNOCARE PHARMA TECH CO LTD (CN) | 2020-07-15 | — | — | EP | disclosed |