Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8381202 | 0.82 | HSP90AA1 (0.41) | ALDH1A1HSP90AA1HSP90AB1PKMMAPT | |
| SCHEMBL8376026 | 0.78 | BRD4 (0.36) | ALDH1A1HSP90AA1HSP90AB1KMT2ARAB9A | |
| SCHEMBL5323114 | 0.69 | KMT2A (0.49) | ALDH1A1HSP90AA1MAPTKMT2ALMNA | |
| SCHEMBL6953674 | 0.67 | HSP90AA1 (0.55) | ALDH1A1HSP90AA1HSP90AB1MAPTMAPK1 | |
| SCHEMBL3510105 | 0.65 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1HSP90AB1MAPTTP53 | |
| SCHEMBL29227136 | 0.64 | KDM4E (0.74) | ALDH1A1MAPTKMT2ANPC1LMNA | |
| SCHEMBL22539896 | 0.64 | YES1 (0.42) | ALDH1A1HSP90AA1HSP90AB1MAPTMAPK1 | |
| SCHEMBL8376920 | 0.63 | HSP90AA1 (0.37) | ALDH1A1HSP90AA1HSP90AB1KMT2AALOX15 | |
| SCHEMBL3505036 | 0.63 | ALDH1A1 (0.58) | ALDH1A1MAPTTP53MAPK1KMT2A | |
| SCHEMBL3504880 | 0.62 | ALDH1A1 (0.56) | ALDH1A1HSP90AA1HSP90AB1PKMTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5925766-A | COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| US-5756754-A | Substituted 3-(aminoalkylamino)-1,2-benzisoxazoles and related compounds | HOECHST MARION ROUSSEL, INC. (US) | 1998-05-26 | — | — | US | disclosed |