Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL570395 | 0.92 | ALDH1A1 (0.66) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL5366495 | 0.92 | MAPT (0.57) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL3749140 | 0.89 | ALDH1A1 (0.65) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL560517 | 0.89 | ALDH1A1 (0.65) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL21025582 | 0.88 | ALDH1A1 (0.56) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL10611770 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL7857412 | 0.86 | ALDH1A1 (0.67) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| Ethylene Glycol SCHEMBL11963283 | 0.84 | ALDH1A1 (0.64) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL28679427 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPTADRB2ADRB1ADRB3 | |
| SCHEMBL27817849 | 0.83 | ALDH1A1 (0.57) | ALDH1A1MAPTADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6235924-B1 | ESTERIFICATION OF CARBOXYLIC ACIDS, ALCOHOLS AND CHEMICAL INTERMEDIATES | VELSICOL CHEMICAL CORPORATION | 2001-05-22 | — | — | US | disclosed |