Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.33 |
| ▸ | PRKG1 | Q13976 | 8/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.33 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.31 |
| ▸ | KDM5A | P29375 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6586886 | 0.81 | EED (0.35) | ALDH1A1 | |
| SCHEMBL6589821 | 0.75 | TIPARP (0.32) | TIPARPCACNA2D1FFAR2CA12CA1 | |
| Fumaric Acid SCHEMBL6589279 | 0.69 | GAA (0.45) | ROCK2PRKG1TIPARPCA12CA1 | |
| Maleic Acid SCHEMBL6589272 | 0.69 | GAA (0.45) | ROCK2PRKG1TIPARPCA12CA1 | |
| SCHEMBL6589122 | 0.66 | EED (0.45) | ROCK2PRKG1TIPARPCA12CA1 | |
| Fumaric Acid SCHEMBL6587770 | 0.60 | LMNA (0.40) | CYP1A2TIPARP | |
| Fumaric Acid SCHEMBL6587762 | 0.60 | LMNA (0.40) | CYP1A2TIPARP | |
| Maleic Acid SCHEMBL6593267 | 0.60 | ESR1 (0.43) | — | |
| Fumaric Acid SCHEMBL6593570 | 0.60 | ESR1 (0.43) | — | |
| SCHEMBL22836922 | 0.59 | SMO (0.44) | ROCK2PRKG1CYP1A2LIMK2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703232-B1 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | AVENTIS PHARMA INC (US) | 2004-06-30 | — | — | EP | claimed |
| US-5567718-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1996-10-22 | — | — | US | claimed |
| EP-0703232-A2 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1996-03-27 | — | — | EP | claimed |
| EP-0703232-B1 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | AVENTIS PHARMA INC (US) | 2004-06-30 | — | — | EP | disclosed |
| US-5874458-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5874583-A | TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA | HOECHST MARION ROUSSEL INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5869685-A | SEROTONIN REUPTAKE INHIBITORS | HOECHST MARION ROUSSEL INC. (US) | 1999-02-09 | — | — | US | disclosed |
| US-5869502-A | TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDER, STUTTERING, TRICHOTILLOMANIA | HOECHST MARION ROUSSEL INC. (US) | 1999-02-09 | — | — | US | disclosed |
| US-5567718-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL INC. (US) | 1996-10-22 | — | — | US | disclosed |
| EP-0703232-A2 | 2,3-Dihydro-1H-isoindole derivates, a process for their preparation and their use as serotonin reuptake inhibitors | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1996-03-27 | — | — | EP | disclosed |