Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14970283 | 0.81 | ALDH1A1 (0.46) | KDM4EALDH1A1LMNAMAPK1MAPT | |
| SCHEMBL31084348 | 0.74 | ALDH1A1 (0.61) | KDM4EALDH1A1LMNAMAPK1WDR5 | |
| SCHEMBL11842662 | 0.71 | ALDH1A1 (0.49) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7154204 | 0.64 | WDR5 (0.45) | KDM4EALDH1A1LMNAMAPK1WDR5 | |
| Phenanthrene SCHEMBL30702393 | 0.62 | ALDH1A1 (0.71) | KDM4EALDH1A1LMNAWDR5NR4A1 | |
| Phenanthrene SCHEMBL28735113 | 0.62 | ALDH1A1 (0.71) | KDM4EALDH1A1LMNAWDR5NR4A1 | |
| SCHEMBL18422927 | 0.62 | WDR5 (0.46) | KDM4EALDH1A1LMNAMAPK1WDR5 | |
| SCHEMBL4954667 | 0.62 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1NR4A1NR4A2 | |
| SCHEMBL1826565 | 0.62 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1NR4A1NR4A2 | |
| SCHEMBL4955989 | 0.62 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPK1NR4A1NR4A2 |
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-9505733-B2 | Single step enantioselective process for the preparation of 3-substituted chiral phthalides | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-11-29 | — | — | US | disclosed |