Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10481312 | 0.85 | ALDH1A1 (0.38) | IKBKBCES2CES1ALDH1A1KMT2A | |
| SCHEMBL14627554 | 0.84 | FFAR4 (0.36) | IKBKBCES2CES1HTTALDH1A1 | |
| SCHEMBL27731731 | 0.82 | HSP90AB1 (0.43) | IKBKBCES2CES1HTTALDH1A1 | |
| SCHEMBL9722967 | 0.81 | ALDH1A1 (0.42) | IKBKBCES2CES1HTTALDH1A1 | |
| SCHEMBL7804378 | 0.80 | CES2 (0.55) | CES2CES1HTTALDH1A1MEN1 | |
| SCHEMBL9722960 | 0.77 | MRGPRX1 (0.37) | IKBKBCES2CES1KMT2AMAPT | |
| SCHEMBL9722931 | 0.76 | CES2 (0.44) | IKBKBCES2CES1HTTPKM | |
| SCHEMBL3810854 | 0.76 | CLCN2 (0.52) | IKBKBCES2CES1ALDH1A1MEN1 | |
| SCHEMBL10631588 | 0.76 | KMT2A (0.38) | IKBKBCES2CES1KMT2AMAPT | |
| SCHEMBL6535624 | 0.76 | IKBKB (0.36) | IKBKBCES2CES1HTTPKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5079264-A | CHEMICAL PROCESS | THE BOOTS CO. PLC (GB) | 1992-01-07 | — | — | US | disclosed |
| EP-0317149-B1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | The Boots Company PLC (GB) | 1991-11-06 | — | — | EP | disclosed |
| US-5011931-A | For treatment of cardiovascular disorders; hypotensive agents | THE BOOTS COMPANY PLC (GB) | 1991-04-30 | — | — | US | disclosed |
| EP-0343206-A1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | The Boots Company PLC (GB) | 1989-11-29 | — | — | EP | disclosed |
| WO-1989004827-A1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | THE BOOTS COMPANY PLC (GB) | 1989-06-01 | — | — | WO | disclosed |
| EP-0317149-A1 | Process for the synthesis of 3-thio-4-quinolone derivatives and intermediate compounds for use therein, and their use as medicaments | The Boots Company PLC (GB) | 1989-05-24 | — | — | EP | disclosed |