Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560489 | 1.00 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL1733940 | 0.82 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL8577276 | 0.82 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL10997933 | 0.81 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL8561891 | 0.81 | DRD2 (0.56) | SIGMAR1HTR1AHTR7 | |
| SCHEMBL8567026 | 0.81 | DRD2 (0.56) | SIGMAR1HTR1AHTR7 | |
| SCHEMBL8561885 | 0.81 | DRD2 (0.56) | SIGMAR1HTR1AHTR7 | |
| SCHEMBL3457736 | 0.81 | SIGMAR1 (0.69) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11280918 | 0.80 | SIGMAR1 (0.67) | SIGMAR1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL3081051 | 0.80 | KCNH2 (0.58) | SIGMAR1ALDH1A1MAPTHTR1ATSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334715-A | For treating psychological disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-08-02 | — | — | US | claimed |
| EP-0494604-B1 | 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments | HOECHST MARION ROUSSEL INC (US) | 1998-10-07 | — | — | EP | disclosed |
| US-5440048-A | Treating psychoses | HOECHST-ROUSSEL PHARMACEUTICALS INC (US) | 1995-08-08 | — | — | US | disclosed |
| US-5334715-A | For treating psychological disorders | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-08-02 | — | — | US | disclosed |
| US-5194436-A | For trating psychosis | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-03-16 | — | — | US | disclosed |
| EP-0494604-A1 | 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1992-07-15 | — | — | EP | disclosed |
| US-5130315-A | Treatment of psychosis | Wittekind, Raymond R. (US) | 1992-07-14 | — | — | US | disclosed |