Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5243158 | 0.85 | KCNH2 (0.52) | KCNH2MAPTALDH1A1MAPK1 | |
| SCHEMBL5247341 | 0.84 | DRD2 (0.51) | KCNH2ALDH1A1OPRM1 | |
| SCHEMBL5244521 | 0.84 | DRD2 (0.59) | KCNH2ADRB1GRM2MAPTALDH1A1 | |
| SCHEMBL23102053 | 0.77 | KCNH2 (0.55) | KCNH2ADRB1MAPTALDH1A1RAB9A | |
| SCHEMBL10373770 | 0.76 | ADRB1 (0.74) | KCNH2ADRB1MAPTALDH1A1RAB9A | |
| SCHEMBL11103700 | 0.76 | ADRB1 (0.74) | KCNH2ADRB1MAPTALDH1A1RAB9A | |
| SCHEMBL12377879 | 0.76 | ADRB1 (0.59) | KCNH2ADRB1MAPTALDH1A1RAB9A | |
| SCHEMBL3259353 | 0.74 | DRD2 (0.47) | KCNH2ALDH1A1 | |
| SCHEMBL14218788 | 0.73 | KCNH2 (0.77) | KCNH2ADRB1HTR7 | |
| SCHEMBL10819408 | 0.72 | KCNH2 (0.71) | KCNH2ADRB1MAPTALDH1A1RAB9A |
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-1836192-A2 | ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | Universita' Degli Studi di Siena (IT) | 2007-09-26 | — | — | EP | claimed |
| WO-2006072608-A2 | ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | UNIVERSITÁ DEGLI STUDI DI SIENA (IT) | 2006-07-13 | — | — | WO | claimed |
| EP-1836192-A2 | ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | Universita' Degli Studi di Siena (IT) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006072608-A2 | ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | UNIVERSITÁ DEGLI STUDI DI SIENA (IT) | 2006-07-13 | — | — | WO | disclosed |