Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | MC4R | P32245 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7562080 | 0.93 | CYP3A4 (0.35) | CYP3A4IDO1TDO2MC4RTSHR | |
| SCHEMBL17858417 | 0.89 | CYP3A4 (0.38) | CYP3A4IDO1TDO2MC4RTSHR | |
| SCHEMBL20710583 | 0.83 | HRH1 (0.44) | CYP3A4IDO1TDO2TSHRCYP19A1 | |
| SCHEMBL9286802 | 0.83 | TSHR (0.38) | CYP3A4IDO1TDO2MC4RTSHR | |
| SCHEMBL9229150 | 0.83 | TSHR (0.38) | CYP3A4IDO1TDO2MC4RTSHR | |
| SCHEMBL19215837 | 0.81 | CYP3A4 (0.36) | CYP3A4IDO1TDO2TSHRCYP19A1 | |
| SCHEMBL15022607 | 0.81 | CYP3A4 (0.40) | CYP3A4IDO1TDO2TSHRALDH1A1 | |
| SCHEMBL24920008 | 0.80 | CSNK1E (0.41) | CYP3A4TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL5795839 | 0.79 | HTT (0.39) | CYP3A4IDO1TDO2TSHRALDH1A1 | |
| SCHEMBL18007088 | 0.79 | ESR1 (0.41) | CYP3A4MC4RTSHRCYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004111056-A2 | COMPOUND LIBRARIES OF SPIRO-BENZODIOXINE-PIPERIDINES | BIOFOCUS PLC (GB) | 2004-12-23 | — | — | WO | disclosed |
| WO-2004035568-A1 | BENZOFURAN DERIVATIVES, FORMULATIONS AND USES THEREOF | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2004-04-29 | — | — | WO | disclosed |