Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12050744 | 0.69 | ALDH1A1 (0.63) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| SCHEMBL17811147 | 0.69 | CES2 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL13181083 | 0.67 | ALDH1A1 (0.55) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| Hydrochloric Acid SCHEMBL11878104 | 0.67 | HTT (0.40) | ALDH1A1POLBMAPTCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11878110 | 0.67 | HTT (0.40) | ALDH1A1POLBMAPTCYP1A2CYP2D6 | |
| SCHEMBL13753317 | 0.66 | ALDH1A1 (0.73) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| SCHEMBL16452706 | 0.64 | ALDH1A1 (0.56) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| SCHEMBL14400523 | 0.63 | HPGD (0.59) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| SCHEMBL6360984 | 0.63 | ALDH1A1 (0.80) | ALDH1A1TAS1R3TAS1R1HPGDMEN1 | |
| SCHEMBL20306025 | 0.63 | ATM (0.43) | ALDH1A1HPGDMEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016087615-A1 | NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS | PROCOMCURE BIOTECH GMBH (AT) | 2016-06-09 | — | — | WO | disclosed |