Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11845486 | 0.79 | NPC1 (0.50) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL17671229 | 0.79 | ALOX15 (0.50) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL3056260 | 0.77 | NPSR1 (0.52) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL28930325 | 0.77 | ALOX15 (0.57) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL2554880 | 0.76 | ALOX15 (0.46) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL4667393 | 0.76 | ALDH1A1 (0.44) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL3953896 | 0.74 | ALOX15 (0.44) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL692996 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL11445181 | 0.74 | ALDH1A1 (0.59) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A | |
| SCHEMBL4895782 | 0.73 | RAB9A (1.00) | ALDH1A1ALOX15SMN1; SMN2HSD17B10RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051396-A4 | COMPETITIVE INHIBITORS OF GLYOXALASE I AND METHOD OF GENERATING SUCH COMPETITIVE INHIBITORS INSIDE TUMOR CELLS | UNIV MARYLAND AT BALTIMORE COU (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1051396-A1 | COMPETITIVE INHIBITORS OF GLYOXALASE I AND METHOD OF GENERATING SUCH COMPETITIVE INHIBITORS INSIDE TUMOR CELLS | University of Maryland at Baltimore County (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999035128-A1 | COMPETITIVE INHIBITORS OF GLYOXALASE I AND METHOD OF GENERATING SUCH COMPETITIVE INHIBITORS INSIDE TUMOR CELLS | UNIVERSITY OF MARYLAND AT BALTIMORE COUNTY (US) | 1999-07-15 | — | — | WO | disclosed |