Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 10/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7532640 | 1.00 | SHBG (0.43) | SHBGCYP1A2SIGMAR1MMP1MMP7 | |
| SCHEMBL1524748 | 0.98 | SHBG (0.39) | SHBGCYP1A2SIGMAR1MMP1MMP7 | |
| SCHEMBL28319985 | 0.94 | SHBG (0.41) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL27450259 | 0.93 | SHBG (0.34) | SHBGCYP1A2SIGMAR1EPHX1METAP1 | |
| SCHEMBL1524836 | 0.92 | SHBG (0.40) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL9209093 | 0.92 | SHBG (0.40) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL9206222 | 0.89 | SHBG (0.37) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL9204414 | 0.89 | SHBG (0.37) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL9205033 | 0.89 | SHBG (0.37) | SHBGCYP1A2SIGMAR1EPHX1TSHR | |
| SCHEMBL6719652 | 0.89 | SHBG (0.37) | SHBGCYP1A2SIGMAR1EPHX1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869025-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006112464-A1 | PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-10-26 | — | — | WO | disclosed |