Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | C1S | P09871 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL11054501 | 0.86 | MAPT (0.48) | DHFRMAPTNPC1ADRB1DRD2 | |
| SCHEMBL11055216 | 0.86 | DRD4 (0.44) | DHFRMAPTNPC1DRD2ALDH1A1 | |
| SCHEMBL11059926 | 0.84 | DHFR (0.49) | DHFRMAPTNPC1ADRB1KCNH2 | |
| SCHEMBL11057555 | 0.81 | ALDH1A1 (0.44) | DHFRMAPTADRB1KCNH2DRD2 | |
| SCHEMBL11054884 | 0.81 | ALDH1A1 (0.52) | DHFRMAPTADRB1KCNH2ALDH1A1 | |
| SCHEMBL21261365 | 0.79 | DHFR (0.60) | DHFRMAPTNPC1ADRB1KCNH2 | |
| SCHEMBL11057859 | 0.79 | DRD2 (0.59) | MAPTNPC1ADRB1DRD2ALDH1A1 | |
| SCHEMBL11058138 | 0.78 | DHFR (0.52) | DHFRMAPTALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL11074672 | 0.78 | ADRB1 (0.76) | DHFRMAPTNPC1ADRB1KCNH2 | |
| SCHEMBL20149785 | 0.78 | MTOR (0.49) | MAPTNPC1ALDH1A1SMN1; SMN2RAB9A |
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-4425342-A | 1-(Substituted) piperazine-4-benzenesulfinamides, compositions and method of use | HOECHST-ROUSSEL PHARMACEUTICALS (US) | 1984-01-10 | — | — | US | claimed |
| US-4425342-A | 1-(Substituted) piperazine-4-benzenesulfinamides, compositions and method of use | HOECHST-ROUSSEL PHARMACEUTICALS (US) | 1984-01-10 | — | — | US | disclosed |
| EP-0017079-A1 | Benzenesulfinamides, a process for the preparation thereof and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-10-15 | — | — | EP | disclosed |