Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 6/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL30499573 | 0.77 | ALDH1A1 (0.50) | CTSBGPR35TDP1ALDH1A1MEN1 | |
| SCHEMBL591233 | 0.77 | ALDH1A1 (0.50) | CTSBGPR35TDP1ALDH1A1MEN1 | |
| SCHEMBL9794613 | 0.75 | ALDH1A1 (0.47) | CTSBTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL9794601 | 0.75 | TDP1 (0.42) | CTSBTDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL30950239 | 0.75 | ALDH1A1 (0.47) | TDP1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL28655839 | 0.75 | ALDH1A1 (0.47) | TDP1ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6079406 | 0.74 | GPR35 (0.41) | CTSBGPR35TDP1ALDH1A1MEN1 | |
| SCHEMBL9794630 | 0.73 | MEN1 (0.42) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| SCHEMBL6594657 | 0.71 | ALDH1A1 (0.38) | CTSBGPR35TDP1ALDH1A1MEN1 | |
| SCHEMBL6594653 | 0.71 | ALDH1A1 (0.38) | CTSBGPR35TDP1ALDH1A1MEN1 |
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-0252350-B1 | 3-CYANOQUINOLINE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1991-01-02 | — | — | EP | disclosed |
| EP-0252350-A1 | 3-Cyanoquinoline derivatives | BASF Aktiengesellschaft (DE) | 1988-01-13 | — | — | EP | disclosed |