Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12077803 | 0.83 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL7260199 | 0.80 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL7210784 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2HPGDTSHRLMNA | |
| SCHEMBL28575336 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL28575333 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL7885963 | 0.75 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL5282738 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL6122559 | 0.73 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL7127961 | 0.73 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL27961616 | 0.73 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3332645-A1 | USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | Bayer Cropscience AG (DE) | 2018-06-13 | — | — | EP | disclosed |
| US-6610734-B2 | For therapy of Alzheimer's Disease and Down's syndrome | WYETH | 2003-08-26 | — | — | US | disclosed |