Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | APEX1 | P27695 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL187697 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TDP1GPR35PDE10AKDM4E | |
| SCHEMBL29626558 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TDP1GPR35PDE10AKDM4E | |
| Pyrene SCHEMBL27684019 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TDP1GPR35PDE10AKDM4E | |
| SCHEMBL7531431 | 0.77 | TDP1 (0.54) | ALDH1A1TDP1GPR35PDE10AMEN1 | |
| SCHEMBL28027350 | 0.76 | TDP1 (0.73) | ALDH1A1TDP1GPR35KDM4EMEN1 | |
| SCHEMBL28554564 | 0.76 | HSD17B10 (0.54) | ALDH1A1TDP1GPR35MEN1KMT2A | |
| SCHEMBL10379786 | 0.76 | HSD17B10 (0.54) | ALDH1A1TDP1GPR35MEN1KMT2A | |
| SCHEMBL25105 | 0.76 | HSD17B10 (0.54) | ALDH1A1TDP1GPR35MEN1KMT2A | |
| SCHEMBL5068468 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1GPR35PDE10AKDM4E | |
| SCHEMBL2927810 | 0.76 | GPR35 (0.60) | ALDH1A1TDP1GPR35PDE10AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |