Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | C1S | P09871 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MPL | P40238 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6999587 | 0.81 | ITGB2 (0.50) | ALDH1A1RAB9AKDM4EMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL10787996 | 0.75 | CTSD (0.51) | ALDH1A1RAB9AKDM4EMEN1NPC1 | |
| SCHEMBL261613 | 0.74 | ALDH1A1 (0.56) | ALDH1A1RAB9AKDM4EMEN1NPC1 | |
| SCHEMBL709679 | 0.72 | GAA (0.59) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL8042571 | 0.69 | RAB9A (0.48) | ALDH1A1C1SRAB9AKDM4EMEN1 | |
| SCHEMBL25092680 | 0.68 | MPL (0.61) | ALDH1A1C1SRAB9AKDM4ENPC1 | |
| SCHEMBL30761014 | 0.68 | PDE7A (0.63) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL10613520 | 0.68 | RAB9A (0.60) | ALDH1A1RAB9AKDM4EMEN1NPC1 | |
| SCHEMBL6195410 | 0.67 | POLB (0.50) | RAB9ANPC1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL8033022 | 0.67 | ALDH1A1 (0.54) | ALDH1A1RAB9AKDM4EMEN1NPC1 |
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-1117659-B1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | WYETH CORP (US) | 2003-12-03 | — | — | EP | disclosed |
| US-6288082-B1 | COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE | AMERICAN CYANAMID COMPANY | 2001-09-11 | — | — | US | disclosed |