Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | DAO | P14920 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | TGM2 | P21980 | 2/20 | 0.45 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7423435 | 0.79 | CA1 (0.43) | DAOTGM2TYMSPDK2MAPT | |
| SCHEMBL7484503 | 0.78 | NSD2 (0.49) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL2269040 | 0.78 | PDK2 (0.61) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL7479441 | 0.76 | CA1 (0.45) | TYMSPDK2MAPTPDK4PDK1 | |
| SCHEMBL7478070 | 0.75 | NSD2 (0.42) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL7472238 | 0.75 | NSD2 (0.42) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL7483462 | 0.75 | NSD2 (0.42) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL25112387 | 0.72 | CES1 (0.77) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL2818017 | 0.72 | TYMS (0.52) | NSD2BCHEDAOCES1TGM2 | |
| SCHEMBL19855787 | 0.69 | CES1 (0.71) | NSD2BCHEDAOCES1TGM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0697405-B1 | Substituted quinoline derivatives, process for their preparation and their use | AVENTIS PHARMA GMBH (DE) | 2002-08-14 | — | — | EP | disclosed |
| EP-0579968-B1 | 4-Iminoquinolines, processes for their preparation and their use | HOECHST AG (DE) | 1999-09-01 | — | — | EP | disclosed |
| EP-0697405-A1 | Substituted quinoline derivatives, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-02-21 | — | — | EP | disclosed |
| EP-0579968-A1 | 4-Iminoquinolines, processes for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-01-26 | — | — | EP | disclosed |