Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 2/20 | 0.43 |
| ▸ | ADH1A | P07327 | 2/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10348937 | 0.77 | KDM4E (0.43) | TSHRTDP1KDM4ECHRM2CHRM4 | |
| SCHEMBL17398937 | 0.76 | — | — | |
| SCHEMBL23288387 | 0.74 | TSHR (0.39) | TSHRTDP1KDM4ECHRM2CHRM4 | |
| SCHEMBL16305427 | 0.73 | ADH1B (0.42) | ADH1BADH1AADH1CTSHRTDP1 | |
| SCHEMBL16305419 | 0.73 | ADH1B (0.38) | ADH1BADH1AADH1CTSHRTDP1 | |
| SCHEMBL16305403 | 0.71 | ADH1B (0.35) | ADH1BADH1AADH1CKDM4EADH7 | |
| SCHEMBL16381892 | 0.71 | ADH1B (0.35) | ADH1BADH1AADH1CKDM4EADH7 | |
| SCHEMBL14493374 | 0.69 | ADH1B (0.46) | ADH1BADH1AADH1CTSHRTDP1 | |
| SCHEMBL8564505 | 0.69 | ADH1B (0.38) | ADH1BADH1AADH1CTSHRTDP1 | |
| SCHEMBL11561333 | 0.69 | TSHR (0.48) | TSHRTDP1CHRM2CHRM4CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005085236-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-15 | — | — | WO | disclosed |